Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.62 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 8/20 | 0.40 |
| ▸ | MAOA | P21397 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20530990 | 1.00 | VKORC1 (0.62) | VKORC1ARKDM4EHPGDMAOB | |
| SCHEMBL20530982 | 1.00 | VKORC1 (0.62) | VKORC1ARKDM4EHPGDMAOB | |
| SCHEMBL53492 | 1.00 | VKORC1 (0.62) | VKORC1ARKDM4EHPGDMAOB | |
| SCHEMBL10605196 | 1.00 | VKORC1 (0.62) | VKORC1ARKDM4EHPGDMAOB | |
| SCHEMBL10680674 | 1.00 | VKORC1 (0.62) | VKORC1ARKDM4EHPGDMAOB | |
| SCHEMBL10605191 | 1.00 | VKORC1 (0.62) | VKORC1ARKDM4EHPGDMAOB | |
| SCHEMBL29387562 | 1.00 | VKORC1 (0.62) | VKORC1ARKDM4EHPGDMAOB | |
| SCHEMBL10691142 | 0.98 | VKORC1 (0.65) | VKORC1ARKDM4EHPGDMAOB | |
| SCHEMBL20530981 | 0.97 | VKORC1 (0.59) | VKORC1ARKDM4EHPGDMAOB | |
| SCHEMBL10644938 | 0.94 | VKORC1 (0.53) | VKORC1ARKDM4EHPGDMAOB |
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-4788297-A | Separation of isomers | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-11-29 | — | — | US | disclosed |