Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.53 |
| ▸ | SCN1A | P35498 | 1/20 | 0.53 |
| ▸ | SCN4A | P35499 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.53 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.53 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.53 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.53 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL542191 | 0.81 | CYP2C9 (0.53) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| SCHEMBL1968442 | 0.78 | TSHR (0.48) | AKR1B1MMP2MMP9KDM4E | |
| Phenytoin SCHEMBL1461588 | 0.72 | CYP2C9 (0.96) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| Phenytoin SCHEMBL3440 | 0.70 | CYP2C9 (1.00) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| Phenytoin SCHEMBL5499612 | 0.70 | CYP2C9 (1.00) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| SCHEMBL14354280 | 0.70 | CYP2C9 (0.63) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| SCHEMBL14581598 | 0.68 | CA1 (0.37) | GAACYP3A4 | |
| Phenytoin SCHEMBL2905857 | 0.68 | CYP2C9 (0.96) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| Phenytoin SCHEMBL2140317 | 0.68 | CYP2C9 (0.96) | CYP2C9CACNA1FALDH1A1MAPTHTR2A | |
| Phenytoin SCHEMBL10406406 | 0.68 | CYP2C9 (0.96) | CYP2C9CACNA1FALDH1A1MAPTHTR2A |
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-7414078-B2 | Oral general anesthetics and metabolitically resistant anticonvulsants | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2008-08-19 | — | — | US | disclosed |
| US-7414078-B2 | Oral general anesthetics and metabolitically resistant anticonvulsants | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2008-08-19 | — | — | US | disclosed |