Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | HTR1D | P28221 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.42 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7040978 | 0.83 | OPRL1 (0.52) | TRPV6HTR1DOPRM1OPRL1 | |
| SCHEMBL7039447 | 0.80 | CCR1 (0.54) | HTR1D | |
| SCHEMBL7038208 | 0.77 | TRPV6 (0.62) | TRPV6KDM4EALDH1A1HTR1DSIGMAR1 | |
| SCHEMBL9036686 | 0.76 | TRPV6 (0.59) | TRPV6KDM4EALDH1A1OPRM1OPRD1 | |
| SCHEMBL6964019 | 0.74 | TRPV6 (0.53) | TRPV6KDM4EALDH1A1OPRM1OPRD1 | |
| SCHEMBL7040198 | 0.73 | HTR1D (0.80) | HTR1D | |
| SCHEMBL3705468 | 0.73 | KDM4E (0.57) | KDM4EALDH1A1ATMC5AR1 | |
| SCHEMBL3219368 | 0.72 | OPRL1 (0.61) | TRPV6KDM4EALDH1A1ATMOPRM1 | |
| SCHEMBL25967987 | 0.72 | ALDH1A1 (0.86) | KDM4EALDH1A1ATM | |
| SCHEMBL8142385 | 0.72 | TRPV6 (0.52) | TRPV6KDM4EALDH1A1OPRM1OPRD1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1037637-B1 | USE OF 5HT1A RECEPTOR ANTAGONISTS FOR PREVENTING AND/OR TREATING TEMPORAL LOBE EPILEPSY | UNIV PRINCETON (US) | 2003-03-19 | — | — | EP | disclosed |
| EP-0546583-B1 | Piperazinyl-and piperidinyl-cyclohexanols | BRISTOL MYERS SQUIBB CO (US) | 1996-05-22 | — | — | EP | disclosed |
| US-5478828-A | Anxiolytic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-12-26 | — | — | US | disclosed |
| US-5387593-A | Anxiolytic agents | BRISTON-MYERS SQUIBB (US) | 1995-02-07 | — | — | US | disclosed |
| EP-0546583-A1 | Piperazinyl-and piperidinyl-cyclohexanols | Bristol-Myers Squibb Company (US) | 1993-06-16 | — | — | EP | disclosed |