Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4599477 | 0.98 | CYP19A1 (0.46) | CYP19A1CYP11B1CYP11B2PTGDR2AR | |
| SCHEMBL7056110 | 0.85 | KIF11 (0.38) | CYP19A1CYP11B1CYP11B2PTGDR2PDK2 | |
| SCHEMBL4599915 | 0.81 | FFAR4 (0.50) | CYP11B2ARPDK2FFAR1FFAR4 | |
| SCHEMBL7056102 | 0.81 | PDK2 (0.43) | CYP19A1CYP11B1CYP11B2ARPDK2 | |
| Hydrochloric Acid SCHEMBL4599483 | 0.79 | FFAR4 (0.49) | ARPDK2FFAR1FFAR4SCN9A | |
| SCHEMBL5548115 | 0.79 | CYP19A1 (0.50) | CYP19A1CYP11B1CYP11B2PTGDR2AR | |
| SCHEMBL2570411 | 0.79 | AR (0.53) | CYP19A1CYP11B1CYP11B2PTGDR2AR | |
| SCHEMBL5038281 | 0.76 | NCOA1 (0.45) | CYP19A1CYP11B1CYP11B2PTGDR2PDK2 | |
| SCHEMBL29074269 | 0.76 | PTGDR2 (0.42) | PTGDR2PDK2FFAR4SCN9A | |
| SCHEMBL4636986 | 0.76 | SCN9A (0.47) | PTGDR2FFAR4SCN9A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910292-A1 | PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST | Takeda Pharmaceutical Company Limited (JP) | 2008-04-16 | — | — | EP | claimed |
| WO-2007015588-A1 | PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-02-08 | — | — | WO | claimed |
| EP-1824825-A4 | SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS | MEDICURE INT INC (BB) | 2009-07-08 | — | — | EP | disclosed |
| EP-1910292-A1 | PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST | Takeda Pharmaceutical Company Limited (JP) | 2008-04-16 | — | — | EP | disclosed |
| EP-1824825-A1 | SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS | Medicure International Inc. (BB) | 2007-08-29 | — | — | EP | disclosed |
| WO-2007015588-A1 | PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-02-08 | — | — | WO | disclosed |
| WO-2006045203-A1 | SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS | MEDICURE INTERNATIONAL INC. (CA) | 2006-05-04 | — | — | WO | disclosed |