Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
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 SCHEMBL8897942 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4ECYP1A2POLBCYP3A4 | |
| Bromide SCHEMBL8563399 | 0.82 | HDAC1 (0.43) | ALDH1A1POLBCYP2D6CYP2C9CYP2C19 | |
| Bromide SCHEMBL8563395 | 0.82 | HDAC1 (0.43) | ALDH1A1POLBCYP2D6CYP2C9CYP2C19 | |
| Bromide SCHEMBL8900117 | 0.82 | KCNH2 (0.44) | ALDH1A1POLBSMN1; SMN2L3MBTL1 | |
| Bromide SCHEMBL8559098 | 0.82 | KCNH2 (0.44) | ALDH1A1POLBSMN1; SMN2L3MBTL1 | |
| Bromide SCHEMBL8560813 | 0.81 | KMT2A (0.46) | KDM4EPOLBCYP2D6SMN1; SMN2KMT2A | |
| Bromide SCHEMBL8897963 | 0.81 | KMT2A (0.46) | KDM4EPOLBCYP2D6SMN1; SMN2KMT2A | |
| Bromide SCHEMBL8900350 | 0.79 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2SIGMAR1KMT2A | |
| Bromide SCHEMBL8599535 | 0.79 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2SIGMAR1KMT2A | |
| Bromide SCHEMBL5199353 | 0.77 | PER2 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5804577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1998-09-08 | — | — | US | disclosed |
| EP-0761673-A1 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |