Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28728954 | 0.81 | CHRNB2 (0.34) | — | |
| SCHEMBL9740698 | 0.72 | KDM4E (0.37) | KMT2AMEN1CYP2C9 | |
| SCHEMBL1473221 | 0.67 | BRD4 (0.40) | PDPK1KMT2AMEN1CYP2C9RECQL | |
| SCHEMBL17954542 | 0.66 | CYP2C9 (0.43) | PDPK1KMT2AMEN1CYP2C9RECQL | |
| Hydrochloric Acid SCHEMBL3558795 | 0.66 | BRD4 (0.39) | PDPK1KMT2AMEN1CYP2C9RECQL | |
| SCHEMBL27852789 | 0.64 | CYP2C9 (0.45) | PDPK1KMT2AMEN1CYP2C9RECQL | |
| SCHEMBL28760225 | 0.63 | CYP2C9 (0.44) | PDPK1KMT2AMEN1CYP2C9 | |
| SCHEMBL17953043 | 0.62 | CYP2C9 (0.41) | PDPK1KMT2AMEN1CYP2C9 | |
| SCHEMBL26677853 | 0.61 | MAOA (0.40) | KMT2ARECQL | |
| SCHEMBL1472698 | 0.59 | CYP2C9 (0.61) | KMT2ACYP2C9RECQL |
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-1725569-A1 | PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS | Bristol-Myers Squibb Company (US) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005090367-A1 | PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-09-29 | — | — | WO | disclosed |