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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.40 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29892302 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL2271064 | 0.94 | CALM1 (0.45) | CALM1TSHRALDH1A1LOXL2IDO1 | |
| Bromide SCHEMBL25375048 | 0.75 | CALM1 (0.50) | CALM1TSHRALDH1A1LOXL2IDO1 | |
| SCHEMBL1575804 | 0.71 | CALM1 (0.53) | CALM1TSHRALDH1A1LOXL2IDO1 | |
| Bromide SCHEMBL8513722 | 0.71 | CYP1A2 (0.52) | ALDH1A1TDP1CYP2A6 | |
| Bromide SCHEMBL3735 | 0.71 | CALM1 (0.45) | CALM1TSHRALDH1A1LOXL2IDO1 | |
| SCHEMBL621963 | 0.71 | IDO1 (0.50) | ALDH1A1IDO1MAOBCYP2A6HTR2A | |
| Bromide SCHEMBL3519090 | 0.71 | TSHR (0.48) | CALM1TSHRALDH1A1LOXL2IDO1 | |
| (Chloromethyl)Benzene SCHEMBL3327865 | 0.69 | — | — | |
| SCHEMBL2821261 | 0.69 | CYP2A6 (0.44) | ALDH1A1IDO1MAOBCYP2A6HTR2A |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108368107-B | Fused heterocyclic compounds as S1P modulators | 艾伯维公司 | 2021-11-26 | — | — | CN | disclosed |
| US-10556907-B2 | Fused heterocyclic compounds as S1P modulators | AbbVie Deutschland GmbH & Co. KG (DE) | 2020-02-11 | — | — | US | disclosed |
| EP-3341369-A1 | FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS | AbbVie Inc. (US) | 2018-07-04 | — | — | EP | disclosed |
| WO-2017036978-A1 | FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS | ABBVIE INC. (US) | 2017-03-09 | — | — | WO | disclosed |
| US-20170057966-A1 | FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS | AbbVie Deutschland GmbH & Co. KG (DE) | 2017-03-02 | — | — | US | disclosed |
| US-20140288127-A1 | Novel Alkene Oxindole Derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2014-09-25 | — | — | US | disclosed |
| US-8778973-B2 | Alkene oxindole derivatives | HOFFMANN-LAROCHE INC. (US) | 2014-07-15 | — | — | US | disclosed |
| US-20130131114-A1 | NOVEL ALKENE OXINDOLE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-05-23 | — | — | US | disclosed |
| EP-2480530-A1 | ALKENE OXINDOLE DERIVATIVES AND THEIR USES TO TREAT OBESITY, DIABETES AND HYPERLIPIDEMIA | F. Hoffmann-La Roche AG (CH) | 2012-08-01 | — | — | EP | disclosed |
| WO-2011033099-A1 | ALKENE OXINDOLE DERIVATIVES AND THEIR USES TO TREAT OBESITY, DIABETES AND HYPERLIPIDEMIA | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-24 | — | — | WO | disclosed |
| US-20110071195-A1 | NOVEL ALKENE OXINDOLE DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2011-03-24 | — | — | US | disclosed |
| WO-2011032320-A1 | NOVEL ALKENE OXINDOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-24 | — | — | 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 (5 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-20170057966-A1 | FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS | S1PR1, S1PR2, S1PR3 | SIGMAR1 1369/4885CALM1 3368/4885TSHR 1172/4885 |
| US-20140288127-A1 | Novel Alkene Oxindole Derivatives | PRKAB1, PRKAR2A, PRKAB2 | SIGMAR1 1654/4885CALM1 349/4885TSHR 1361/4885 |
| US-20110071195-A1 | NOVEL ALKENE OXINDOLE DERIVATIVES | PRKAB1, PRKAR2A, PRKAB2 | SIGMAR1 1550/4885CALM1 401/4885TSHR 1237/4885 |
| US-20130131114-A1 | NOVEL ALKENE OXINDOLE DERIVATIVES | PRKAB1, PRKAR2A, PRKAB2 | SIGMAR1 1654/4885CALM1 349/4885TSHR 1361/4885 |
| US-10556907-B2 | Fused heterocyclic compounds as S1P modulators | S1PR1, S1PR2, S1PR3 | SIGMAR1 1369/4885CALM1 3368/4885TSHR 1172/4885 |
“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.