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 | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 10/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | AXL | P30530 | 1/20 | 0.57 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.57 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.57 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.57 |
| ▸ | GSK3B | P49841 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.48 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.48 |
| ▸ | HPGDS | O60760 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL7275813 | 0.77 | GSK3B (0.43) | RAB9ANPC1GSK3BKDM4EALDH1A1 | |
| SCHEMBL17014792 | 0.77 | CYP19A1 (0.70) | CYP19A1RAB9ANPC1AXLPBRM1 | |
| SCHEMBL19051411 | 0.74 | CYP19A1 (1.00) | CYP19A1RAB9ANPC1AXLPBRM1 | |
| SCHEMBL30128572 | 0.74 | CYP19A1 (1.00) | CYP19A1RAB9ANPC1AXLPBRM1 | |
| SCHEMBL6196239 | 0.74 | CYP19A1 (1.00) | CYP19A1RAB9ANPC1AXLPBRM1 | |
| SCHEMBL19051355 | 0.74 | CYP19A1 (0.79) | CYP19A1RAB9ANPC1AXLPBRM1 | |
| SCHEMBL1801387 | 0.72 | CDK1 (0.49) | RAB9ANPC1GSK3BKDM4EALDH1A1 | |
| SCHEMBL8167465 | 0.72 | GSK3B (1.00) | GSK3BCDK5CDK5R1 | |
| SCHEMBL17014791 | 0.72 | MEN1 (0.67) | CYP19A1RAB9ANPC1AXLPBRM1 | |
| SCHEMBL17014786 | 0.72 | CYP19A1 (1.00) | CYP19A1RAB9ANPC1AXLPBRM1 |
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-0328200-B1 | Five-membered ring systems with bonded azacyclic ring substituents | MERCK SHARP & DOHME (GB) | 1993-12-08 | — | — | EP | disclosed |
| US-5041456-A | Pharmaceutically useful 3-(indol-3-yl)-1,2,4-oxa- and thiadiazoles substituted in the 5-position by an amino containing group | MERCK SHARP & DOHME LTD. (GB) | 1991-08-20 | — | — | US | disclosed |
| US-4952587-A | PSYCHOLOGICAL DISORDERS, MIGRAINES, ALZHEIMER*S | MERCK SHARP & DOHME LTD. (GB) | 1990-08-28 | — | — | US | disclosed |
| EP-0328200-A1 | Five-membered ring systems with bonded azacyclic ring substituents | MERCK SHARP & DOHME LTD. (GB) | 1989-08-16 | — | — | EP | disclosed |