Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 6/20 | 0.38 |
| ▸ | FPR1 | P21462 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 5/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.36 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL76493 | 0.80 | CYP19A1 (0.47) | CYP2C9KMT2AALDH1A1 | |
| SCHEMBL2370523 | 0.75 | MEN1 (0.44) | CYP2C9KMT2AALDH1A1 | |
| SCHEMBL2370284 | 0.74 | USP2 (0.42) | KCNH2KMT2AALDH1A1 | |
| SCHEMBL4874626 | 0.71 | PARP10 (0.49) | CYP2C9PARP10PARP15PARP2HRH3 | |
| SCHEMBL85567 | 0.71 | KMT2A (0.47) | KMT2AALDH1A1 | |
| SCHEMBL2762400 | 0.69 | CYP2C9 (0.69) | CYP2C9PARP10PARP15PARP2CCNA2 | |
| SCHEMBL4048623 | 0.69 | HRH3 (0.62) | HRH3GPR119CHRNA7CHRNA10CHRNA9 | |
| Hydrochloric Acid SCHEMBL28200483 | 0.67 | CYP2C9 (0.67) | CYP2C9PARP10PARP15PARP2CCNA2 | |
| Terephthalamide SCHEMBL23774 | 0.65 | PARP1 (0.71) | PARP10PARP15PARP2KMT2AALDH1A1 | |
| SCHEMBL12280113 | 0.65 | CHRNB2 (0.42) | HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1608645-A1 | PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES | MERCK PATENT GmbH (DE) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004087696-A1 | PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES | MERCK PATENT GMBH (DE) | 2004-10-14 | — | — | WO | disclosed |