Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.65 |
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | MAOA | P21397 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 6/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | APEX1 | P27695 | 1/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.59 |
| ▸ | HPGD | P15428 | 5/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | STAT1 | P42224 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8074385 | 0.86 | MAPT (0.63) | ALDH1A1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL3661536 | 0.84 | NPC1 (0.83) | ALDH1A1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL5277101 | 0.84 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL29266618 | 0.84 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL16120877 | 0.81 | KDM4E (0.68) | ALDH1A1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL31217564 | 0.81 | NPC1 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL5111031 | 0.80 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL9078491 | 0.80 | NPC1 (0.71) | ALDH1A1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL22733326 | 0.79 | KDM4E (0.77) | ALDH1A1CYP1A2CYP2C9CYP2C19NPC1 | |
| SCHEMBL3204569 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C9CYP2C19NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5409952-A | Anticancer agents | ADIR ET COMPAGNIE (FR) | 1995-04-25 | — | — | US | disclosed |
| EP-0454587-A1 | Heterocyclic derivatives: 2-styryl-4H-1-benzopyran-4-ons, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1991-10-30 | — | — | EP | disclosed |