Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.45 |
| ▸ | SPPL2A | Q8TCT8 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MLNR | O43193 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.43 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.43 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14189508 | 0.99 | SPPL2A (0.51) | SPPL2ACYP3A4MLNRABCB11LMNA | |
| SCHEMBL12434835 | 0.91 | SPPL2A (0.53) | SPPL2ACYP3A4MLNRABCB11LMNA | |
| SCHEMBL8238981 | 0.91 | SPPL2A (0.53) | SPPL2ACYP3A4MLNRABCB11LMNA | |
| SCHEMBL30718549 | 0.89 | SPPL2A (0.51) | SPPL2ACYP3A4MLNRABCB11LMNA | |
| SCHEMBL12435857 | 0.89 | SPPL2A (0.51) | SPPL2ACYP3A4MLNRABCB11LMNA | |
| SCHEMBL8248846 | 0.89 | SPPL2A (0.51) | SPPL2ACYP3A4MLNRABCB11LMNA | |
| SCHEMBL12434851 | 0.89 | SPPL2A (0.51) | SPPL2ACYP3A4MLNRABCB11LMNA | |
| SCHEMBL13480554 | 0.88 | SPPL2A (0.55) | SPPL2ACYP3A4MLNRABCB11LMNA | |
| SCHEMBL4975290 | 0.88 | SPPL2A (0.49) | SPPL2ACYP3A4MLNRABCB11LMNA | |
| SCHEMBL4972751 | 0.87 | SPPL2A (0.56) | SPPL2ACYP3A4MLNRABCB11LMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7339078-B2 | Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2008-03-04 | — | — | US | disclosed |
| US-20070037754-A1 | Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide | G.D. SEARLE & CO. (US) | 2007-02-15 | — | — | US | disclosed |
| US-7161033-B2 | Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G. D. SEARLE & CO. (US) | 2007-01-09 | — | — | US | disclosed |
| US-20070004646-A1 | Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2007-01-04 | — | — | US | disclosed |
| US-7141594-B2 | inhibitors of HIV protease for treating AIDS | G. D. SEARLE & CO. (US) | 2006-11-28 | — | — | US | disclosed |
| US-7098202-B2 | Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G. D. SEARLE & CO. (US) | 2006-08-29 | — | — | US | disclosed |
| US-20050227926-A1 | Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2005-10-13 | — | — | US | disclosed |
| US-20040198989-A1 | Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2004-10-07 | — | — | US | disclosed |
| US-6683210-B2 | HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS, HUMAN IMMUNODEFICIENCY VIRUS, AND LYMPHADENOPATHY ASSOCIATED VIRUS TREATMENT | G. D. SEARLE & CO. | 2004-01-27 | — | — | US | disclosed |
| US-6673822-B2 | Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G.D. SEARLE & CO. | 2004-01-06 | — | — | US | disclosed |
| US-6458785-B1 | AIDS THERAPY | G. D. SEARLE | 2002-10-01 | — | — | US | disclosed |
| US-6407134-B1 | VIRICIDE FOR HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS | G. D. SEARLE & CO. | 2002-06-18 | — | — | US | disclosed |
| US-6388132-B1 | AIDS THERAPY | G. D. SEARLE & CO. | 2002-05-14 | — | — | US | disclosed |
| US-6316496-B1 | FOR THERAPY OF RETROVIRAL INFECTION; PROPHYLAXIS OF REPLICATION OF RETROVIRUS, THERAPY OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) | G. D. SEARLE & CO. | 2001-11-13 | — | — | US | disclosed |
| US-6214861-B1 | ENZYME INHIBITOR; VIRICIDES | G.D. SEARLE & CO. | 2001-04-10 | — | — | US | disclosed |
| US-6172101-B1 | TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS | G. D. SEARLE & CO. | 2001-01-09 | — | — | US | disclosed |
| US-6150556-A | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) PROTEASE; PROPHYLAXIS AND THERAPY OF RETROVIRUS INFECTIONS | G. D. DEARLE & CO. (US) | 2000-11-21 | — | — | US | disclosed |
| US-6063795-A | ENZYME INHIBITORS | G.D. SEARLE & COMPANY (US) | 2000-05-16 | — | — | US | disclosed |
| US-5972989-A | Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 1999-10-26 | — | — | US | disclosed |
| WO-1996028463-A1 | AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-09-19 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040198989-A1 | Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | DNPEP, PREP, ANPEP | ADRA1A 4835/4885SPPL2A 333/4885CYP3A4 1731/4885 |
| US-20070037754-A1 | Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide | DNPEP, PREP, ANPEP | ADRA1A 3546/4885SPPL2A 197/4885CYP3A4 1389/4885 |
| US-20070004646-A1 | Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | DNPEP, PREP, ANPEP | ADRA1A 4820/4885SPPL2A 282/4885CYP3A4 1898/4885 |
| US-20050227926-A1 | Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors | DNPEP, PREP, PRSS1 | ADRA1A 4730/4885SPPL2A 654/4885CYP3A4 2307/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.