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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.69 |
| ▸ | NPC1 | O15118 | 2/20 | 0.69 |
| ▸ | RAB9A | P51151 | 2/20 | 0.69 |
| ▸ | MAPT | P10636 | 2/20 | 0.69 |
| ▸ | CSNK2A1 | P68400 | 9/20 | 0.67 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.58 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.57 |
| ▸ | TYR | P14679 | 1/20 | 0.57 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.55 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.55 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.55 |
| ▸ | CFTR | P13569 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7040444 | 0.99 | CSNK2A1 (0.68) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL12297647 | 0.90 | ALOX5 (0.72) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| Bromide SCHEMBL6829998 | 0.89 | ALOX5 (0.70) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL12297629 | 0.89 | CSNK2A1 (0.64) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| Bromide SCHEMBL6833571 | 0.86 | CYP1A1 (0.65) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL12297783 | 0.85 | AMY1A (0.72) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL7038725 | 0.85 | CYP1A1 (0.66) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL12297972 | 0.83 | ALOX5 (0.53) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| Bromide SCHEMBL6832830 | 0.82 | CYP1A1 (0.67) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL12297667 | 0.82 | ALOX5 (0.82) | MEN1KMT2AMAPTALOX5AMY1A |
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 |