Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 4/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.42 |
| ▸ | DRD3 | P35462 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13067104 | 0.88 | CYP2D6 (0.53) | KDM1APTGS1PTGS2ALDH1A1HPGD | |
| SCHEMBL8715308 | 0.85 | PTGS1 (0.46) | KDM1AHDAC3HDAC6PTGS1PTGS2 | |
| SCHEMBL8711778 | 0.84 | MAOA (0.61) | KDM1AALDH1A1HPGDMAPTCYP2D6 | |
| SCHEMBL293951 | 0.82 | KDM1A (0.61) | KDM1APTGS1PTGS2ALDH1A1HPGD | |
| SCHEMBL29557425 | 0.82 | KDM1A (0.61) | KDM1APTGS1PTGS2ALDH1A1HPGD | |
| SCHEMBL628426 | 0.81 | ITGB2 (0.56) | KDM1AALDH1A1HPGDMAPTHTT | |
| SCHEMBL23265178 | 0.81 | KDM1A (0.43) | KDM1APTGS1PTGS2ALDH1A1HPGD | |
| SCHEMBL628451 | 0.80 | KDM1A (0.49) | KDM1APTGS1PTGS2ALDH1A1HPGD | |
| SCHEMBL8905978 | 0.79 | CYP2D6 (0.43) | KDM1APTGS1PTGS2ALDH1A1HPGD | |
| SCHEMBL627961 | 0.78 | KDM1A (0.48) | KDM1APTGS1PTGS2ALDH1A1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5830902-A | SQUALENE SYNTHASE INHIBITOR | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1998-11-03 | — | — | US | disclosed |
| CN-1177353-A | Novel quinuclidine derivatives having tricyclic fused hereto ring | YAMANOUCHI PHARMA CO LTD (JP) | 1998-03-25 | — | — | CN | disclosed |
| EP-0812840-A1 | NOVEL QUINUCLIDINE DERIVATIVES HAVING TRICYCLIC FUSED HETERO RING | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1997-12-17 | — | — | EP | disclosed |