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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.47 |
| ▸ | TSHR | P16473 | 10/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SOAT2 | O75908 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 2/20 | 0.35 |
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 SCHEMBL9460670 | 1.00 | CYP1A2 (0.47) | CYP1A2TSHRCYP3A4CYP2C9CYP2C19 | |
| Bromide SCHEMBL552222 | 0.94 | CYP3A4 (0.42) | CYP1A2TSHRCYP3A4CYP2C9CYP2C19 | |
| Iodide SCHEMBL4819097 | 0.91 | CYP1A2 (0.42) | CYP1A2TSHRCYP3A4CYP2C9CYP2C19 | |
| Iodide SCHEMBL10731914 | 0.89 | SOAT2 (0.44) | CYP1A2TSHRCYP3A4CYP2C9CYP2C19 | |
| Bromide SCHEMBL8664989 | 0.88 | HIF1A (0.39) | CYP1A2TSHRCYP3A4CYP2C9CYP2C19 | |
| Bromide SCHEMBL8664990 | 0.88 | HIF1A (0.39) | CYP1A2TSHRCYP3A4CYP2C9CYP2C19 | |
| Bromide SCHEMBL4690988 | 0.78 | HIF1A (0.39) | CYP1A2TSHRCYP3A4CYP2C9CYP2C19 | |
| Bromide SCHEMBL4690992 | 0.78 | HIF1A (0.39) | CYP1A2TSHRCYP3A4CYP2C9CYP2C19 | |
| Bromide SCHEMBL27230650 | 0.77 | HIF1A (0.47) | CYP1A2TSHRCYP3A4CYP2C19ALDH1A1 | |
| Bromide SCHEMBL27211909 | 0.77 | HIF1A (0.47) | CYP1A2TSHRCYP3A4CYP2C19ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5180710-A | ETHYL (2E,4Z,7Z)-2,4,7-DECATRIENOATE AND ITS USE AS A PERFUMING OR FLAVORING INGREDIENT | FIRMENICH S.A. (CH) | 1993-01-19 | — | — | US | disclosed |