Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2366282 | 0.81 | — | — | |
| SCHEMBL9637131 | 0.72 | ALDH1A1 (0.56) | ALDH1A1HSD17B10HPGDGAAKDM4E | |
| SCHEMBL10437089 | 0.69 | ALDH1A1 (0.41) | ALDH1A1HSD17B10HPGDGAAKDM4E | |
| SCHEMBL15255464 | 0.67 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HPGDGAA | |
| SCHEMBL23009708 | 0.66 | ALDH1A1 (0.34) | ALDH1A1HSD17B10HPGDGAA | |
| SCHEMBL3322085 | 0.65 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HPGDGAAKDM4E | |
| SCHEMBL18772790 | 0.65 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDGAACASP1 | |
| SCHEMBL18722400 | 0.65 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDGAACASP1 | |
| SCHEMBL5495774 | 0.64 | TSHR (0.37) | ALDH1A1HSD17B10HPGDGAAKDM4E | |
| SCHEMBL31436228 | 0.63 | MAPT (0.44) | ALDH1A1HSD17B10HPGDGAAKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0401707-A1 | Heterocyclic triazin or triazolo compounds having serotonin 2-receptor antagonistic activity | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1990-12-12 | — | — | EP | disclosed |