Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.62 |
| ▸ | HTT | P42858 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | RAB9A | P51151 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5739984 | 0.94 | RAB9A (0.69) | SMN1; SMN2HTTMAPTRAB9AALDH1A1 | |
| SCHEMBL7447238 | 0.82 | TNF (0.48) | SMN1; SMN2HTTMAPTRAB9AALDH1A1 | |
| SCHEMBL24634980 | 0.79 | PKM (0.56) | SMN1; SMN2HTTMAPTRAB9AALDH1A1 | |
| SCHEMBL5738542 | 0.79 | ALDH1A1 (0.54) | SMN1; SMN2HTTMAPTRAB9AALDH1A1 | |
| SCHEMBL5739537 | 0.79 | RAB9A (0.69) | SMN1; SMN2HTTMAPTRAB9AALDH1A1 | |
| SCHEMBL10418997 | 0.78 | HTT (0.63) | SMN1; SMN2HTTMAPTRAB9AALDH1A1 | |
| SCHEMBL1002669 | 0.76 | ALDH1A1 (0.67) | SMN1; SMN2HTTMAPTRAB9AALDH1A1 | |
| SCHEMBL16891466 | 0.74 | L3MBTL1 (0.70) | SMN1; SMN2ALDH1A1GSK3BHPGDL3MBTL1 | |
| SCHEMBL16563423 | 0.72 | TRPV1 (0.48) | SMN1; SMN2HTTMAPTRAB9AALDH1A1 | |
| SCHEMBL12070024 | 0.72 | DGAT1 (0.44) | SMN1; SMN2HTTMAPTRAB9AALDH1A1 |
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-1648447-A1 | PYRAZOLINES AS PAR-1 ANTAGONISTS FOR TREATMENT OF CARDIOVASCULAR DISEASES | Bayer HealthCare AG (DE) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005007157-A1 | PYRAZOLINES AS PAR-1 ANTAGONISTS FOR TREATMENT OF CARDIOVASCULAR DISEASES | BAYER HEALTHCARE AG (DE) | 2005-01-27 | — | — | WO | disclosed |