Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.42 |
| ▸ | TACR1 | P25103 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8438187 | 0.88 | OPRK1 (0.52) | SIGMAR1OPRK1TACR1CYP2D6KMT2A | |
| SCHEMBL8436169 | 0.85 | TACR1 (0.51) | SIGMAR1OPRK1TACR1CYP2D6KMT2A | |
| SCHEMBL16333205 | 0.80 | TACR1 (0.46) | SIGMAR1OPRK1TACR1CYP2D6CCR5 | |
| SCHEMBL5630756 | 0.79 | OPRK1 (0.63) | OPRK1CYP2D6 | |
| SCHEMBL8670577 | 0.75 | CCR5 (0.54) | OPRK1TACR1CYP2D6CCR5 | |
| SCHEMBL8922022 | 0.75 | CCR5 (0.54) | OPRK1TACR1CYP2D6CCR5 | |
| SCHEMBL8195719 | 0.74 | TACR1 (0.54) | OPRK1TACR1CYP2D6CCR5 | |
| SCHEMBL8920395 | 0.74 | TACR1 (0.54) | OPRK1TACR1CYP2D6CCR5 | |
| SCHEMBL16333435 | 0.73 | OPRD1 (0.54) | OPRK1TACR1CYP2D6CCR5 | |
| SCHEMBL6481037 | 0.73 | OPRK1 (0.67) | OPRK1TACR1CCR5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5945443-A | Kappa agonist compounds and pharmaceutical formulations thereof | ADOLOR CORPORATION (US) | 1999-08-31 | — | — | US | disclosed |
| 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 |
| US-5688955-A | ANALGESICS | ADOLOR CORPORATION (US) | 1997-11-18 | — | — | US | disclosed |