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 | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 7/20 | 0.95 |
| ▸ | MAOB | P27338 | 5/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | TYMS | P04818 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | PRF1 | P14222 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22284 | 0.98 | MAOA (1.00) | MAOAMAOBALDH1A1KDM4EHPGD | |
| SCHEMBL6903786 | 0.98 | MAOA (1.00) | MAOAMAOBALDH1A1KDM4EHPGD | |
| SCHEMBL11522370 | 0.98 | MAOA (1.00) | MAOAMAOBALDH1A1KDM4EHPGD | |
| SCHEMBL29448271 | 0.98 | MAOA (1.00) | MAOAMAOBALDH1A1KDM4EHPGD | |
| SCHEMBL6353583 | 0.98 | MAOA (1.00) | MAOAMAOBALDH1A1KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL11215152 | 0.95 | MAOA (0.95) | MAOAMAOBALDH1A1KDM4EHPGD | |
| Water SCHEMBL11007472 | 0.95 | MAOA (0.95) | MAOAMAOBALDH1A1KDM4EHPGD | |
| Fluoride SCHEMBL8592140 | 0.95 | MAOA (0.95) | MAOAMAOBALDH1A1KDM4EHPGD | |
| Benzene SCHEMBL18492989 | 0.95 | MAOA (0.95) | MAOAMAOBALDH1A1KDM4EHPGD | |
| SCHEMBL12540036 | 0.95 | MAOA (0.95) | MAOAMAOBALDH1A1KDM4EHPGD |
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-0021176-B1 | CEPHALOSPORIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1984-01-18 | — | — | EP | claimed |
| US-6645960-B1 | Antiprotozoa agents for animal or human infections | GLAXO WELLCOME S.A. (ES) | 2003-11-11 | — | — | US | disclosed |
| EP-1228049-A1 | ANTIFUNGAL SORDARICIN DERIVATIVES | Glaxo Wellcome S.A. (ES) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001034583-A1 | ANTIFUNGAL SORDARICIN DERIVATIVES | GLAXO WELLCOME SA (ES) | 2001-05-17 | — | — | WO | disclosed |