Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PGK2 | P07205 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11080251 | 0.78 | TSHR (0.48) | TSHRCYP1A2ATMCYP2D6PTPN1 | |
| SCHEMBL997714 | 0.78 | ALDH1A1 (0.42) | TSHRCYP1A2ATMCYP2D6DRD2 | |
| SCHEMBL200076 | 0.77 | TSHR (0.46) | TSHRCYP1A2ATMCYP2D6KMT2A | |
| SCHEMBL11143559 | 0.72 | TSHR (0.50) | TSHRCYP1A2ATMCYP2D6KMT2A | |
| SCHEMBL5152927 | 0.72 | TSHR (0.50) | TSHRCYP1A2ATMCYP2D6KMT2A | |
| SCHEMBL639889 | 0.72 | ATM (0.41) | TSHRCYP1A2ATMCYP2D6KMT2A | |
| SCHEMBL6846624 | 0.72 | ATM (0.41) | TSHRCYP1A2ATMCYP2D6KMT2A | |
| SCHEMBL8755619 | 0.72 | ALDH1A1 (0.41) | TSHRCYP1A2ATMCYP2D6KMT2A | |
| SCHEMBL28857197 | 0.70 | ALDH1A1 (0.40) | TSHRCYP1A2ATMCYP2D6KMT2A | |
| SCHEMBL10486722 | 0.70 | TSHR (0.37) | TSHRCYP1A2ATMCYP2D6KMT2A |
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 |