Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | HPGD | P15428 | 1/20 | 0.69 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.69 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.69 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.69 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL8930421 | 1.00 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL14441043 | 0.93 | CYP1A2 (0.79) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL4575860 | 0.93 | CYP1A2 (0.79) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL6935531 | 0.93 | CYP1A2 (0.79) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL4575586 | 0.93 | CYP1A2 (0.79) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL6935533 | 0.93 | CYP1A2 (0.79) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL8930417 | 0.92 | CYP1A2 (0.71) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL8930438 | 0.89 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL12018156 | 0.89 | OPRD1 (0.67) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 | |
| SCHEMBL8930501 | 0.89 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C9HPGDOPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5681830-A | DIARYLMETHYL PIPERAZINE COMPOUNDS HAVING UTILITY IN MEDICAL THERAPY AS RECEPTOR-BINDING SPECIES | DELTA PHARMACEUTICALS, INC. (US) | 1997-10-28 | — | — | US | disclosed |
| US-5552404-A | COMPOUNDS FOR NEUROTRANSMITTERS FOR ANIMALS | DELTA PHARMACEUTICALS, INC. (US) | 1996-09-03 | — | — | US | disclosed |