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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.86 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.86 |
| ▸ | NPC1 | O15118 | 3/20 | 0.86 |
| ▸ | RAB9A | P51151 | 3/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.86 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.86 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.58 |
| ▸ | RELA | Q04206 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | NPY5R | Q15761 | 11/20 | 0.57 |
| ▸ | MECP2 | P51608 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL3915911 | 0.99 | MAPT (0.88) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL1017669 | 0.85 | ALDH1A1 (0.67) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| Fanetizole SCHEMBL11365554 | 0.83 | GAA (0.84) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL24257646 | 0.82 | NPY5R (0.64) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| Fanetizole SCHEMBL1813401 | 0.81 | GAA (0.86) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL24257425 | 0.81 | MAPT (0.62) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL24257641 | 0.81 | MAPT (0.62) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL16137401 | 0.80 | MAPK1 (1.00) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL12297576 | 0.79 | GAA (0.82) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL14276489 | 0.78 | NPY5R (0.80) | NPY5RCYP2D6 |
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 |