Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MT-CO2 | P00403 | 3/20 | 0.63 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.60 |
| ▸ | TACR1 | P25103 | 4/20 | 0.54 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.53 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.53 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.51 |
| ▸ | MLYCD | O95822 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.50 |
| ▸ | YAP1 | P46937 | 1/20 | 0.50 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.50 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16127840 | 0.83 | KMT2A (0.65) | TACR1P2RX1TMPRSS4MLYCDMTOR | |
| SCHEMBL5357501 | 0.82 | MT-CO2 (0.83) | MT-CO2SIRT2 | |
| SCHEMBL22114105 | 0.80 | TACR1 (0.55) | TACR1P2RX1TMPRSS4MLYCDMTOR | |
| SCHEMBL6866336 | 0.80 | CHRNB2 (0.68) | TACR1P2RX1TMPRSS4 | |
| SCHEMBL16088678 | 0.79 | P2RX1 (0.57) | TACR1P2RX1TMPRSS4MLYCDMTOR | |
| SCHEMBL5740346 | 0.79 | CA1 (0.56) | TACR1P2RX1TMPRSS4MLYCD | |
| SCHEMBL28674998 | 0.78 | MT-CO2 (1.00) | MT-CO2SIRT2 | |
| SCHEMBL16128007 | 0.77 | P2RX1 (0.55) | TACR1P2RX1TMPRSS4MLYCDMTOR | |
| SCHEMBL11330727 | 0.76 | TAS2R14 (0.82) | RXFP1TAS2R14 | |
| SCHEMBL15529210 | 0.75 | RXFP1 (1.00) | RXFP1P2RX1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1131212-C | Phenyl-and pyridinyl derivatives | HOFFMANN LA ROCHE (CH) | 2003-12-17 | — | — | CN | disclosed |
| US-6596773-B2 | Central nervous system disorders | HOFFMANN-LA ROCHE INC. | 2003-07-22 | — | — | US | disclosed |
| US-6407111-B1 | SUBSTANCE P OR NEUROKININ 1 ANTAGONISTS; ANTIINFLAMMATORY, ANTIDEPRESSANT, ANTIARTHRITIC, AND ANTIASTHMATIC AGENTS; PARKINSON*S DISEASE, INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM AND RHEUMATIC DISORDERS | HOFFMANN-LA ROCHE INC. | 2002-06-18 | — | — | US | disclosed |
| CN-1341101-A | Phenyl-and pyridinyl derivatives | HOFFMANN LA ROCHE (CH) | 2002-03-20 | — | — | CN | disclosed |
| EP-1157006-A2 | PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000050398-A2 | PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-08-31 | — | — | WO | disclosed |