Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 16/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TACR1 | P25103 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8922022 | 1.00 | CCR5 (0.54) | CCR5KCNH2OPRM1OPRD1OPRK1 | |
| SCHEMBL8699611 | 0.86 | TACR1 (0.55) | CCR5KCNH2OPRM1OPRD1OPRK1 | |
| SCHEMBL9389656 | 0.83 | RORC (0.45) | CCR5KCNH2 | |
| SCHEMBL8438187 | 0.78 | OPRK1 (0.52) | CCR5OPRK1CYP2D6TACR1 | |
| SCHEMBL5629401 | 0.77 | OPRK1 (0.78) | OPRM1OPRD1OPRK1CYP2D6 | |
| SCHEMBL6526246 | 0.76 | OPRK1 (0.49) | OPRM1OPRD1OPRK1CYP2D6TACR1 | |
| SCHEMBL8552457 | 0.76 | CCR5 (0.48) | CCR5OPRM1OPRD1OPRK1CYP2D6 | |
| SCHEMBL8553707 | 0.76 | CCR5 (0.48) | CCR5OPRM1OPRD1OPRK1CYP2D6 | |
| SCHEMBL6481037 | 0.75 | OPRK1 (0.67) | CCR5OPRM1OPRD1OPRK1TACR1 | |
| SCHEMBL8433573 | 0.75 | SIGMAR1 (0.47) | CCR5OPRK1CYP2D6TACR1 |
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-5763445-A | Kappa agonist compounds pharmaceutical formulations and method of prevention and treatment of pruritus therewith | ADOLOR CORPORATION (US) | 1998-06-09 | — | — | US | disclosed |
| US-5744458-A | ANALGESICS | ADOLOR CORPORATION (US) | 1998-04-28 | — | — | US | disclosed |