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 | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 7/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.67 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.67 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | VCP | P55072 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7042062 | 0.99 | CYP1A1 (0.68) | CYP1A1CYP1A2CYP1B1ALOX5SMN1; SMN2 | |
| Bromide SCHEMBL6829998 | 0.92 | ALOX5 (0.70) | CYP1A1CYP1A2CYP1B1ALOX5SMN1; SMN2 | |
| Bromide SCHEMBL6833571 | 0.89 | CYP1A1 (0.65) | CYP1A1CYP1A2CYP1B1ALOX5SMN1; SMN2 | |
| SCHEMBL7038725 | 0.87 | CYP1A1 (0.66) | CYP1A1CYP1A2CYP1B1ALOX5SMN1; SMN2 | |
| SCHEMBL12297349 | 0.85 | ALOX5 (0.64) | CYP1A1CYP1A2CYP1B1ALOX5SMN1; SMN2 | |
| SCHEMBL12297667 | 0.85 | ALOX5 (0.82) | CYP1A1CYP1A2CYP1B1ALOX5MAPT | |
| SCHEMBL12297783 | 0.85 | AMY1A (0.72) | CYP1A1CYP1A2CYP1B1ALOX5SMN1; SMN2 | |
| SCHEMBL12298539 | 0.85 | SMN1; SMN2 (0.65) | CYP1A1CYP1A2CYP1B1ALOX5SMN1; SMN2 | |
| SCHEMBL12297983 | 0.84 | ALOX5 (0.80) | CYP1A1CYP1A2CYP1B1ALOX5MAPT | |
| SCHEMBL655099 | 0.84 | CYP1A1 (0.60) | CYP1A1CYP1A2CYP1B1ALOX5SMN1; SMN2 |
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 |