Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.56 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.53 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL127262 | 0.98 | RAB9A (0.54) | RAB9ASMN1; SMN2MAPTNPC1ALDH1A1 | |
| SCHEMBL24202029 | 0.97 | RAB9A (0.54) | RAB9ASMN1; SMN2MAPTNPC1ALDH1A1 | |
| SCHEMBL129802 | 0.86 | ALOX5 (0.57) | RAB9ASMN1; SMN2MAPTNPC1ALDH1A1 | |
| SCHEMBL7369256 | 0.84 | HTR2A (0.56) | RAB9ASMN1; SMN2MAPTNPC1ALDH1A1 | |
| Bromide SCHEMBL6832825 | 0.83 | RAB9A (0.58) | RAB9ASMN1; SMN2MAPTNPC1ALDH1A1 | |
| SCHEMBL7040245 | 0.81 | RAB9A (0.59) | RAB9ASMN1; SMN2MAPTNPC1ALDH1A1 | |
| SCHEMBL29654073 | 0.80 | CYP1A1 (0.61) | RAB9ASMN1; SMN2MAPTNPC1MEN1 | |
| SCHEMBL19627013 | 0.79 | RAB9A (0.60) | RAB9ASMN1; SMN2MAPTNPC1ALDH1A1 | |
| Bromide SCHEMBL6833511 | 0.79 | MAOA (0.59) | RAB9ASMN1; SMN2MAPTNPC1ALOX5 | |
| SCHEMBL29654111 | 0.79 | HTR2A (0.51) | RAB9ASMN1; SMN2MAPTNPC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1467981-A1 | 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 | Kylix Pharmaceuticals B.V. (NL) | 2004-10-20 | — | — | EP | disclosed |
| WO-2003062215-A1 | 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 | KYLIX PHARMACEUTICALS B.V. (NL) | 2003-07-31 | — | — | WO | disclosed |