Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | HPGD | P15428 | 6/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.45 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9158688 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HPGDSMN1; SMN2TP53CYP3A4 | |
| SCHEMBL9166530 | 0.82 | ALDH1A1 (0.61) | ALDH1A1HPGDSMN1; SMN2TP53CYP3A4 | |
| SCHEMBL9166526 | 0.82 | ALDH1A1 (0.61) | ALDH1A1HPGDSMN1; SMN2TP53CYP3A4 | |
| SCHEMBL9163511 | 0.71 | ALDH1A1 (0.59) | ALDH1A1HPGDSMN1; SMN2TP53CYP3A4 | |
| SCHEMBL9163517 | 0.71 | ALDH1A1 (0.59) | ALDH1A1HPGDSMN1; SMN2TP53CYP3A4 | |
| Desmethoxyyangonin SCHEMBL3630674 | 0.70 | ALDH1A1 (1.00) | ALDH1A1HPGDSMN1; SMN2TP53CYP3A4 | |
| Desmethoxyyangonin SCHEMBL236641 | 0.70 | ALDH1A1 (1.00) | ALDH1A1HPGDSMN1; SMN2TP53CYP3A4 | |
| SCHEMBL9160435 | 0.70 | ALDH1A1 (0.61) | ALDH1A1HPGDSMN1; SMN2TP53CYP3A4 | |
| SCHEMBL9160443 | 0.70 | ALDH1A1 (0.61) | ALDH1A1HPGDSMN1; SMN2TP53CYP3A4 | |
| SCHEMBL9975964 | 0.68 | MAPT (0.68) | ALDH1A1HPGDSMN1; SMN2TP53CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5409952-A | Anticancer agents | ADIR ET COMPAGNIE (FR) | 1995-04-25 | — | — | US | disclosed |