Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9724301 | 0.89 | CYP2C19 (0.50) | CYP2C19CYP1A2CYP2C9CYP2D6RXFP1 | |
| SCHEMBL9724124 | 0.87 | CYP2C19 (0.49) | CYP2C19CYP1A2CYP2C9CYP2D6RXFP1 | |
| SCHEMBL18449613 | 0.77 | RXFP1 (0.69) | CYP2C19CYP1A2CYP2C9CYP2D6RXFP1 | |
| SCHEMBL9724222 | 0.77 | LMNA (0.56) | CYP2C19CYP1A2CYP2C9CYP2D6RXFP1 | |
| SCHEMBL2539722 | 0.77 | KDM4E (0.76) | CYP2C19CYP1A2CYP2C9CYP2D6RXFP1 | |
| SCHEMBL9380126 | 0.77 | LMNA (0.62) | CYP2C19CYP1A2CYP2C9CYP2D6RXFP1 | |
| SCHEMBL12638631 | 0.72 | CYP1A2 (0.52) | CYP2C19CYP1A2CYP2C9KDM4ECYP3A4 | |
| SCHEMBL1599148 | 0.72 | KDM4E (0.51) | CYP2C19KDM4ECYP3A4HIF1AALDH1A1 | |
| SCHEMBL4421151 | 0.72 | HTT (0.41) | CYP2C19CYP1A2CYP2C9CYP2D6RXFP1 | |
| SCHEMBL9378259 | 0.71 | IP6K1 (0.35) | CYP2C19KDM4ECYP3A4HIF1AHTT |
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-5112837-A | Inhibitors of thymidylate synthetase enzyme | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-12 | — | — | US | disclosed |