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 | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 4/20 | 0.55 |
| ▸ | GRIA1 | P42261 | 5/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | KDM4A | O75164 | 2/20 | 0.44 |
| ▸ | KDM4B | O94953 | 2/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | MECP2 | P51608 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7038382 | 0.99 | GRM1 (0.56) | GRM1GRIA1CYP19A1CYP1A2ALDH1A1 | |
| SCHEMBL30662150 | 0.81 | RAB9A (0.54) | GRM1CYP1A2ALDH1A1MEN1MAPT | |
| SCHEMBL15993550 | 0.77 | GRIA1 (0.49) | GRM1GRIA1CYP19A1CYP1A2ALDH1A1 | |
| SCHEMBL15993429 | 0.74 | GRIA1 (0.52) | GRM1GRIA1CYP19A1CYP1A2ALDH1A1 | |
| SCHEMBL15993237 | 0.74 | GRIA1 (0.70) | GRM1GRIA1CYP19A1CYP1A2ALDH1A1 | |
| SCHEMBL15993602 | 0.70 | GRM1 (0.56) | GRM1GRIA1CYP19A1CYP1A2ALDH1A1 | |
| SCHEMBL8145854 | 0.70 | ALDH1A1 (0.52) | ALDH1A1MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL12086076 | 0.70 | LMNA (0.42) | CYP19A1CYP1A2ALDH1A1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL27988328 | 0.69 | ALDH1A1 (0.51) | ALDH1A1MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL9381224 | 0.69 | MAPT (0.56) | CYP1A2ALDH1A1MAPTSMN1; SMN2NPSR1 |
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 |