Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL76342 | 0.87 | F10 (0.56) | CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL76341 | 0.87 | F10 (0.56) | CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL5956942 | 0.83 | F10 (0.49) | KMT2AMEN1 | |
| SCHEMBL4450073 | 0.81 | F10 (0.41) | — | |
| SCHEMBL5956969 | 0.81 | F10 (0.65) | — | |
| SCHEMBL5956996 | 0.78 | F10 (0.54) | — | |
| SCHEMBL5956859 | 0.78 | F10 (0.57) | CYP2C9CYP2C19ALDH1A1KMT2AMEN1 | |
| SCHEMBL4444857 | 0.77 | F10 (0.44) | — | |
| SCHEMBL4447297 | 0.77 | F10 (0.44) | — | |
| SCHEMBL4444861 | 0.77 | F10 (0.44) | — |
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-1633346-B1 | PYRROLIDIN-1, 2- DICARBOXYLIC ACID- 1- (4- ETHINYL- PHENYL) - AMID|- 2- (PHENYL)- AMID| DERIVATIVE AS INHIBITORS OF COAGULATION FACTOR XA AND VIIA FOR THE TREATMENT OF THROMBOSIS | MERCK PATENT GMBH (DE) | 2006-08-23 | — | — | EP | claimed |