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 | |
|---|---|---|---|---|
| ▸ | SNCA | P37840 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
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 SCHEMBL71991 | 0.87 | HIF1A (0.44) | SNCAHIF1AKDM4EALDH1A1SMN1; SMN2 | |
| Bromide SCHEMBL14248266 | 0.77 | HIF1A (0.41) | SNCAHIF1AKDM4EALDH1A1SMN1; SMN2 | |
| Bromide SCHEMBL23091700 | 0.76 | SLC6A2 (0.48) | ALDH1A1SMN1; SMN2TDP1LMNACYP2D6 | |
| Bromide SCHEMBL4804106 | 0.74 | HIF1A (0.46) | SNCAHIF1AALDH1A1CYP1A2CYP2D6 | |
| Bromide SCHEMBL8141819 | 0.73 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2TDP1LMNACYP1A2 | |
| Bromide SCHEMBL1465677 | 0.72 | HIF1A (0.44) | SNCAHIF1AALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL22366703 | 0.72 | TAAR1 (0.38) | KDM4EALDH1A1SMN1; SMN2TAAR1HTT | |
| Bromide SCHEMBL1354269 | 0.72 | HIF1A (0.44) | SNCAHIF1AALDH1A1TAAR1LMNA | |
| SCHEMBL15883802 | 0.71 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2TDP1LMNACYP1A2 | |
| SCHEMBL11015096 | 0.71 | KDM4E (0.46) | KDM4EALDH1A1SMN1; SMN2TAAR1TDP1 |
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-6063803-A | ANALGESICS AND CHEMICAL INTERMEDIATES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-05-16 | — | — | US | disclosed |
| WO-1999065911-A1 | OCTAHYDROPYRROLO-[3,4-c]CARBAZOLES USEFUL AS ANALGESIC AGENTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 1999-12-23 | — | — | WO | disclosed |