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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.32 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | FNTA | P49354 | 2/20 | 0.34 |
| ▸ | FNTB | P49356 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8891218 | 0.88 | TACR1 (0.36) | TACR1FNTAFNTBGAAOPRM1 | |
| Bromide SCHEMBL8890170 | 0.83 | ALDH1A1 (0.37) | TACR1FNTAFNTBALDH1A1KDM4E | |
| SCHEMBL8891902 | 0.83 | SIGMAR1 (0.39) | TACR1ALDH1A1KDM4EGAASIGMAR1 | |
| SCHEMBL8892577 | 0.83 | TACR1 (0.39) | TACR1FNTAFNTBGAAACHE | |
| Bromide SCHEMBL8891355 | 0.81 | ALDH1A1 (0.38) | TACR1FNTAFNTBALDH1A1KDM4E | |
| SCHEMBL8891331 | 0.80 | TACR1 (0.39) | TACR1FNTAFNTBACHEGRIN2B | |
| Bromide SCHEMBL8890802 | 0.79 | TACR1 (0.33) | TACR1FNTAFNTBALDH1A1KDM4E | |
| Bromide SCHEMBL8890180 | 0.79 | TACR1 (0.38) | TACR1FNTAFNTBALDH1A1KDM4E | |
| SCHEMBL8892349 | 0.78 | LMNA (0.38) | ALDH1A1LMNA | |
| Bromide SCHEMBL8891366 | 0.77 | TACR1 (0.37) | TACR1FNTAFNTBALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997005110-A1 | PERHYDROISOINDOLE DERIVATIVES AS SUBSTANCE P AND NEUROKININE A ANTAGONISTS | RHONE-POULENC RORER S.A. (FR) | 1997-02-13 | — | — | WO | claimed |
| WO-1997005110-A1 | PERHYDROISOINDOLE DERIVATIVES AS SUBSTANCE P AND NEUROKININE A ANTAGONISTS | RHONE-POULENC RORER S.A. (FR) | 1997-02-13 | — | — | WO | disclosed |