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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SLC6A9 | P48067 | 11/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | FDFT1 | P37268 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5238372 | 0.99 | KDM4E (0.45) | KDM4ENPSR1SLC6A9RXFP1FDFT1 | |
| SCHEMBL3901210 | 0.99 | KDM4E (0.46) | KDM4ENPSR1SLC6A9RXFP1FDFT1 | |
| SCHEMBL15937933 | 0.99 | KDM4E (0.46) | KDM4ENPSR1SLC6A9RXFP1FDFT1 | |
| SCHEMBL1499083 | 0.90 | KDM4E (0.46) | KDM4ENPSR1SLC6A9RXFP1FDFT1 | |
| Water SCHEMBL5230889 | 0.87 | KDM4E (0.38) | KDM4ENPSR1SLC6A9RXFP1FDFT1 | |
| Acetonitrile SCHEMBL5226956 | 0.84 | KDM4E (0.36) | KDM4ENPSR1SLC6A9RXFP1FDFT1 | |
| Bromide SCHEMBL4019730 | 0.78 | HHAT (0.47) | KDM4ENPSR1DRD1 | |
| SCHEMBL1499097 | 0.77 | HHAT (0.48) | KDM4ENPSR1DRD1 | |
| SCHEMBL5439863 | 0.77 | HHAT (0.48) | KDM4ENPSR1DRD1 | |
| SCHEMBL4018143 | 0.77 | HHAT (0.48) | KDM4ENPSR1DRD1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1756116-A1 | POLYMORPHIC FORMS OF METHYL(+)-(S)-ALPHA-(2-CHLOROPHENYL)-6,7-DIHYDROTHIENO[3,2-C]PYRIDINE-5(4H) ACETATE HYDROBROMIDE, CLOPIDROGEL HYDROBROMIDE | Sanofi-Aventis (FR) | 2007-02-28 | — | — | EP | claimed |
| WO-2005103058-A1 | POLYMORPHIC FORMS OF METHYL (+) - (S) -ALPHA- (2-CHLOROPHENYL) -6, 7-DIHYDROTHIENO `3,2-C!PYRIDINE-584H) ACETATE HYDROBROMIDE, CLOPIDROGEL HYDROBROMIDE | SANOFI-AVENTIS (FR) | 2005-11-03 | — | — | WO | claimed |
| EP-1756116-A1 | POLYMORPHIC FORMS OF METHYL(+)-(S)-ALPHA-(2-CHLOROPHENYL)-6,7-DIHYDROTHIENO[3,2-C]PYRIDINE-5(4H) ACETATE HYDROBROMIDE, CLOPIDROGEL HYDROBROMIDE | Sanofi-Aventis (FR) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005103058-A1 | POLYMORPHIC FORMS OF METHYL (+) - (S) -ALPHA- (2-CHLOROPHENYL) -6, 7-DIHYDROTHIENO `3,2-C!PYRIDINE-584H) ACETATE HYDROBROMIDE, CLOPIDROGEL HYDROBROMIDE | SANOFI-AVENTIS (FR) | 2005-11-03 | — | — | WO | disclosed |