Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.40 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1553870 | 1.00 | KMT2A (0.48) | KMT2ACES2CES1CYP2C9CYP1A2 | |
| SCHEMBL27555367 | 0.77 | KMT2A (0.49) | KMT2ACES2CES1CYP2C9CYP1A2 | |
| SCHEMBL1695617 | 0.76 | ESR1 (0.52) | KMT2ACYP2C9CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1982008 | 0.74 | CES2 (0.50) | CES2CES1SMN1; SMN2 | |
| SCHEMBL1982010 | 0.74 | CES2 (0.50) | CES2CES1SMN1; SMN2 | |
| SCHEMBL3654352 | 0.73 | HTR7 (0.44) | KMT2ACES2CES1CYP2C9CYP1A2 | |
| SCHEMBL3654354 | 0.73 | HTR7 (0.44) | KMT2ACES2CES1CYP2C9CYP1A2 | |
| SCHEMBL3654349 | 0.73 | HTR7 (0.44) | KMT2ACES2CES1CYP2C9CYP1A2 | |
| SCHEMBL3068393 | 0.73 | CES2 (0.74) | KMT2ACES2CES1CYP2C9CYP1A2 | |
| SCHEMBL1553648 | 0.71 | TP53 (0.48) | KMT2ACES2CES1ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1439175-B1 | PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2011-04-27 | — | — | EP | disclosed |