Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10688395 | 0.91 | OPRK1 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Hydrochloric Acid SCHEMBL10692153 | 0.74 | OPRM1 (0.45) | OPRK1OPRD1OPRM1 | |
| SCHEMBL28257086 | 0.71 | KDM1A (0.44) | OPRK1 | |
| SCHEMBL10751965 | 0.69 | SLC6A4 (0.44) | ALDH1A1OPRK1OPRM1 | |
| SCHEMBL4608031 | 0.67 | AKR1C1 (0.38) | OPRK1 | |
| SCHEMBL6556698 | 0.67 | AKR1C1 (0.38) | OPRK1 | |
| SCHEMBL26822313 | 0.66 | CHRNB2 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL10695134 | 0.65 | TACR1 (0.38) | ALDH1A1OPRK1OPRM1 | |
| SCHEMBL10485404 | 0.64 | KDM1A (0.42) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL27770304 | 0.63 | CHRM1 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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-4731457-A | 1-substituted, 2,3-diphenyl-3-hydroxymethyl pyrrolidines, where the 2- and/or 3-phenyl can be substituted | THE PURDUE FREDERICK COMPANY (US) | 1988-03-15 | — | — | US | disclosed |
| US-4639529-A | Analgesic and anti-inflammatory compounds | THE PURDUE FREDERICK COMPANY (US) | 1987-01-27 | — | — | US | disclosed |