Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28240722 | 0.78 | ATM (0.40) | ALDH1A1TSHRATMCYP2D6DRD2 | |
| SCHEMBL8755602 | 0.76 | CYP2D6 (0.42) | ALDH1A1ATMCYP2D6DRD2DRD4 | |
| SCHEMBL8610666 | 0.76 | ATM (0.39) | ALDH1A1TSHRATMCYP2D6DRD2 | |
| SCHEMBL11594323 | 0.74 | CYP1A2 (0.55) | ATMCYP2D6DRD2DRD4OPRM1 | |
| SCHEMBL17593727 | 0.73 | CYP2D6 (0.40) | ALDH1A1TSHRATMCYP2D6DRD2 | |
| SCHEMBL16428437 | 0.73 | TSHR (0.46) | ALDH1A1TSHRATMCYP2D6DRD2 | |
| SCHEMBL11823800 | 0.70 | CYP2C19 (0.39) | ALDH1A1TSHRATMCYP2D6DRD2 | |
| SCHEMBL997714 | 0.69 | ALDH1A1 (0.42) | ALDH1A1TSHRATMCYP2D6DRD2 | |
| SCHEMBL17899832 | 0.69 | CYP2C19 (0.43) | ALDH1A1TSHRPTPN1CYP1A2CYP2C9 | |
| SCHEMBL4982674 | 0.69 | NR1H2 (0.54) | ALDH1A1TSHRCYP2D6PTPN1CYP1A2 |
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 |