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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.31 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | JAK2 | O60674 | 3/20 | 0.33 |
| ▸ | TYK2 | P29597 | 3/20 | 0.33 |
| ▸ | JAK1 | P23458 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7481050 | 0.98 | KCNMA1 (0.35) | KCNMA1NISCHMEN1KMT2AJAK2 | |
| Bromide SCHEMBL7475766 | 0.89 | KCNMA1 (0.32) | KCNMA1MEN1KMT2AJAK2TYK2 | |
| SCHEMBL7482604 | 0.87 | KCNMA1 (0.33) | KCNMA1MEN1KMT2AJAK2TYK2 | |
| SCHEMBL27510913 | 0.81 | MEN1 (0.33) | KCNMA1MEN1KMT2AJAK2TYK2 | |
| Bromide SCHEMBL7478970 | 0.78 | CYP19A1 (0.40) | NISCHCYP3A4SLC6A2 | |
| SCHEMBL7478752 | 0.77 | KCNMA1 (0.39) | KCNMA1NISCHMEN1KMT2AJAK2 | |
| Hydrochloric Acid SCHEMBL7483308 | 0.76 | KCNMA1 (0.38) | KCNMA1NISCHMEN1KMT2AJAK2 | |
| SCHEMBL7480722 | 0.76 | CYP19A1 (0.41) | NISCHCYP3A4SLC6A2 | |
| Bromide SCHEMBL7488739 | 0.75 | CYP17A1 (0.30) | CYP3A4 | |
| Bromide SCHEMBL7480922 | 0.74 | NISCH (0.30) | NISCH |
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 7 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 | claimed |
| EP-0950056-A2 | N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS | HOECHST MARION ROUSSEL, INC. (US) | 1999-10-20 | — | — | EP | claimed |
| WO-1998029407-A2 | N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION | HOECHST MARION ROUSSEL, INC. (US) | 1998-07-09 | — | — | WO | claimed |
| 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 |