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 | 6/20 | 0.56 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | LTA4H | P09960 | 8/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.53 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | NOS1 | P29475 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL172198 | 0.98 | LTA4H (0.54) | RAB9AMAPTNPC1SMN1; SMN2ALDH1A1 | |
| Bromide SCHEMBL6830057 | 0.84 | ALDH1A1 (0.57) | RAB9AMAPTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7035076 | 0.82 | ALDH1A1 (0.58) | RAB9AMAPTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7041674 | 0.81 | LOXL2 (0.45) | RAB9AMAPTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL130078 | 0.80 | ATP4A (0.60) | RAB9AMAPTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL1771825 | 0.78 | ALDH1A1 (0.79) | RAB9AMAPTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL13341093 | 0.78 | NPC1 (0.43) | RAB9AMAPTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL19625329 | 0.78 | NPC1 (0.43) | RAB9AMAPTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7041676 | 0.78 | NPC1 (0.60) | RAB9AMAPTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5702154 | 0.78 | ALDH1A1 (0.56) | RAB9AMAPTNPC1SMN1; SMN2ALDH1A1 |
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 |