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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7489287 | 0.99 | MEN1 (0.34) | CYP17A1CYP3A4CYP11B1CYP11B2DRD4 | |
| SCHEMBL7481508 | 0.81 | MEN1 (0.36) | CYP17A1CYP3A4CYP11B1DRD4DRD2 | |
| Hydrochloric Acid SCHEMBL7482682 | 0.80 | MEN1 (0.36) | CYP17A1CYP3A4CYP11B1DRD4DRD2 | |
| SCHEMBL7476993 | 0.80 | DRD3 (0.52) | DRD4DRD2DRD1DRD5DRD3 | |
| SCHEMBL7478486 | 0.80 | KMT2A (0.47) | CYP3A4DRD4DRD3MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7474283 | 0.79 | DRD3 (0.51) | DRD4DRD2DRD1DRD5DRD3 | |
| SCHEMBL7480264 | 0.79 | DRD1 (0.43) | CYP11B2DRD4DRD2DRD1DRD5 | |
| SCHEMBL7484532 | 0.76 | KMT2A (0.42) | DRD4DRD3MEN1KMT2A | |
| SCHEMBL7484538 | 0.76 | KMT2A (0.39) | DRD4DRD3MEN1KMT2A | |
| Bromide SCHEMBL7488739 | 0.75 | CYP17A1 (0.30) | CYP17A1CYP3A4CYP11B1CYP11B2 |
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-0950056-B1 | N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS | AVENTIS PHARMA INC (US) | 2002-09-18 | — | — | EP | disclosed |
| US-6004977-A | ANTIDEPRESSANTS, COGNITION ACTIVATORS, AND ALZHEIMER'S DISEASE TREATMENT | HOECHST MARION ROUSSEL, INC. (US) | 1999-12-21 | — | — | US | disclosed |
| EP-0950056-A2 | N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS | HOECHST MARION ROUSSEL, INC. (US) | 1999-10-20 | — | — | EP | disclosed |
| WO-1998029407-A2 | N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION | HOECHST MARION ROUSSEL, INC. (US) | 1998-07-09 | — | — | WO | disclosed |