Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL546504 | 0.94 | — | — | |
| Water SCHEMBL27479326 | 0.91 | — | — | |
| Benzene SCHEMBL20450537 | 0.91 | DAO (0.37) | CYP3A4ALDH1A1TDP1GABRA1GABRB2 | |
| SCHEMBL9077562 | 0.84 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL11647522 | 0.79 | MIF (0.37) | CYP3A4ALDH1A1HPGDTDP1GABRA1 | |
| SCHEMBL3839430 | 0.71 | POLB (0.38) | CYP3A4ALDH1A1HPGDTDP1TSHR | |
| SCHEMBL12796947 | 0.71 | — | — | |
| SCHEMBL15812941 | 0.71 | — | — | |
| SCHEMBL5570720 | 0.71 | — | — | |
| SCHEMBL1019041 | 0.71 | LTA4H (0.47) | CYP3A4ALDH1A1HPGDTDP1TSHR |
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-4088766-A | PRODUCTION OF PROSTAGLANDINS IN MAMMALS | THE UPJOHN COMPANY (US) | 1978-05-09 | — | — | US | disclosed |