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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8402761 | 0.99 | LTA4H (0.56) | LTA4HKMT2ARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL9082983 | 0.82 | ALOX5 (0.54) | KMT2ASMN1; SMN2ALDH1A1HSP90AA1 | |
| Hydrochloric Acid SCHEMBL8022704 | 0.80 | HSP90AA1 (0.57) | KMT2ASMN1; SMN2ALDH1A1HSP90AA1 | |
| SCHEMBL9188352 | 0.80 | LTA4H (0.61) | LTA4HKMT2ARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL9564994 | 0.77 | RAB9A (0.48) | LTA4HKMT2ARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL4667938 | 0.76 | LTA4H (0.64) | LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL27764698 | 0.74 | MEN1 (0.67) | LTA4HKMT2ARAB9ASMN1; SMN2NPC1 | |
| Bromide SCHEMBL8857566 | 0.72 | HDAC3 (0.63) | KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL4666205 | 0.71 | RAB9A (0.74) | LTA4HKMT2ARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL21067416 | 0.71 | LTA4H (1.00) | LTA4HKMT2ARAB9ASMN1; SMN2NPC1 |
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-6218070-B1 | USING ONIUM COMPOUND | AGFA-GEVAERT, N.V. (BE) | 2001-04-17 | — | — | US | disclosed |
| US-6150083-A | NAPTHO(1,2-D)THIAZOLIUM DERIVATIVE CYANINE DYES; HIGH CONTRAST BLACK AND WHITE AND MULTICOLOR PRINTING; PHOTOSENSITIVITY; STAIN RESISTANCE | AGFA-GEVAERT, N.V. (BE) | 2000-11-21 | — | — | US | disclosed |