Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 4/20 | 0.37 |
| ▸ | NOS2 | P35228 | 4/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1703059 | 1.00 | ALDH1A1 (0.38) | ALDH1A1NOS1NOS2NOS3ALOX5 | |
| Bicarbonate SCHEMBL11381268 | 0.90 | HSD11B1 (0.33) | ALDH1A1NOS1NOS2NOS3ALOX5 | |
| SCHEMBL2502334 | 0.85 | NOS1 (0.42) | ALDH1A1NOS1NOS2NOS3 | |
| SCHEMBL2499186 | 0.85 | NOS1 (0.42) | ALDH1A1NOS1NOS2NOS3 | |
| SCHEMBL89025 | 0.85 | — | — | |
| Cyclohexane SCHEMBL3694033 | 0.85 | NOS1 (0.42) | ALDH1A1NOS1NOS2NOS3 | |
| SCHEMBL7063115 | 0.85 | NOS1 (0.42) | ALDH1A1NOS1NOS2NOS3 | |
| SCHEMBL7740961 | 0.85 | NOS1 (0.42) | ALDH1A1NOS1NOS2NOS3 | |
| SCHEMBL2500447 | 0.85 | NOS1 (0.42) | ALDH1A1NOS1NOS2NOS3 | |
| SCHEMBL28837982 | 0.85 | NOS1 (0.42) | NOS1NOS2NOS3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-59095230-A | — | — | None | — | — | JP | disclosed |
| JP-58170734-A | — | — | None | — | — | JP | disclosed |
| JP-S5995230-A | LIQUID CRYSTAL COMPOUND HAVING METHOXY GROUP AT SIDE CHAIN | CHISSO CORP | 1984-06-01 | — | — | JP | disclosed |
| JP-S58170734-A | 4-(TRANS-4'-(TRANS-4\"-ALKYLCYCLOHEXYL)CYCLOHEXYL)-BENZOIC ACID 4-HALOGENOPHENYL ESTER | CHISSO CORP | 1983-10-07 | — | — | JP | disclosed |