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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 1.00 |
| ▸ | MAPT | P10636 | 7/20 | 1.00 |
| ▸ | NPC1 | O15118 | 5/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 1.00 |
| ▸ | LTA4H | P09960 | 5/20 | 0.80 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.63 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.63 |
| ▸ | RELA | Q04206 | 2/20 | 0.63 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.63 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | HK1 | P19367 | 1/20 | 0.61 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL428793 | 0.98 | RAB9A (0.96) | RAB9AMAPTNPC1SMN1; SMN2LTA4H | |
| SCHEMBL3129591 | 0.89 | LTA4H (1.00) | RAB9AMAPTNPC1SMN1; SMN2LTA4H | |
| SCHEMBL1771825 | 0.87 | ALDH1A1 (0.79) | RAB9AMAPTNPC1SMN1; SMN2LTA4H | |
| SCHEMBL23610361 | 0.85 | ALDH1A1 (0.83) | RAB9AMAPTNPC1SMN1; SMN2LTA4H | |
| SCHEMBL3174725 | 0.81 | RAB9A (0.68) | RAB9AMAPTNPC1SMN1; SMN2LTA4H | |
| SCHEMBL172279 | 0.81 | ALDH1A1 (0.70) | RAB9AMAPTNPC1SMN1; SMN2LTA4H | |
| Bromide SCHEMBL8360772 | 0.80 | LTA4H (0.77) | RAB9AMAPTNPC1SMN1; SMN2LTA4H | |
| Bromide SCHEMBL8360642 | 0.80 | LTA4H (0.80) | RAB9AMAPTNPC1SMN1; SMN2LTA4H | |
| Bromide SCHEMBL9234687 | 0.79 | RAB9A (0.66) | RAB9AMAPTNPC1SMN1; SMN2LTA4H | |
| Iodide SCHEMBL6175053 | 0.79 | ALDH1A1 (0.68) | RAB9AMAPTNPC1SMN1; SMN2LTA4H |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2683720-A1 | 1H-PYROLLO[3,2-d]PYRIMIDINEDIONE DERIVATIVES | GlaxoSmithKline LLC (US) | 2014-01-15 | — | — | EP | disclosed |
| WO-2012119979-A1 | 1H-PYROLLO[3,2-d]PYRIMIDINEDIONE DERIVATIVES | GLAXOSMITHKLINE LLC (US) | 2012-09-13 | — | — | WO | disclosed |
| EP-1682538-A4 | BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS | S BIO PTE LTD (SG) | 2009-05-27 | — | — | EP | disclosed |
| US-7425555-B2 | Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 2008-09-16 | — | — | US | disclosed |
| EP-1499600-B1 | HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-07-25 | — | — | EP | disclosed |
| US-20070167499-A1 | Biaryl linked hydroxamates: preparation and pharmaceutical applications | A*BIO PTE LTD. (SG) | 2007-07-19 | — | — | US | disclosed |
| EP-1682538-A1 | BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS | S*Bio Pte Ltd (SG) | 2006-07-26 | — | — | EP | disclosed |
| US-20060089393-A1 | Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors | GLAXOSMITHKLINE LLC | 2006-04-27 | — | — | US | disclosed |
| WO-2005040161-A1 | BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS | S*BIO PTE LTD (SG) | 2005-05-06 | — | — | WO | disclosed |
| EP-1499600-A1 | HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003093248-A1 | HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-11-13 | — | — | WO | disclosed |
| US-5958910-A | Use of N-(4-aryl-thiazol-2-yl)-sulfonamides | HOFFMANN-LA ROCHE INC. (US) | 1999-09-28 | — | — | US | disclosed |
| US-5877193-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1999-03-02 | — | — | US | 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 (2 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-20060089393-A1 | Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors | MAPK1, MAPK7, MAP3K1 | RAB9A 1260/4885MAPT 2364/4885NPC1 2719/4885 |
| US-20070167499-A1 | Biaryl linked hydroxamates: preparation and pharmaceutical applications | HDAC1, HDAC11, HDAC2 | RAB9A 4613/4885MAPT 3965/4885NPC1 2195/4885 |
“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.