Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 8/20 | 0.78 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.78 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.78 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.63 |
| ▸ | TP53 | P04637 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | MTOR | P42345 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.63 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.63 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.63 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL9749433 | 1.00 | OPRK1 (0.78) | OPRK1SIGMAR1OPRM1OPRD1CYP3A4 | |
| Hydrochloric Acid SCHEMBL7074287 | 0.99 | OPRK1 (0.78) | OPRK1SIGMAR1OPRM1OPRD1CYP3A4 | |
| Hydrochloric Acid SCHEMBL9747993 | 0.99 | OPRK1 (0.78) | OPRK1SIGMAR1OPRM1OPRD1CYP3A4 | |
| SCHEMBL9749657 | 0.91 | OPRK1 (0.81) | OPRK1SIGMAR1OPRM1OPRD1CYP3A4 | |
| SCHEMBL9749655 | 0.91 | OPRK1 (0.81) | OPRK1SIGMAR1OPRM1OPRD1CYP3A4 | |
| Hydrochloric Acid SCHEMBL6952478 | 0.90 | OPRK1 (0.81) | OPRK1SIGMAR1OPRM1OPRD1CYP3A4 | |
| Hydrochloric Acid SCHEMBL9748763 | 0.90 | OPRK1 (0.81) | OPRK1SIGMAR1OPRM1OPRD1CYP3A4 | |
| SCHEMBL9748062 | 0.88 | OPRK1 (1.00) | OPRK1SIGMAR1OPRM1OPRD1CYP3A4 | |
| SCHEMBL9748668 | 0.88 | OPRK1 (1.00) | OPRK1SIGMAR1OPRM1OPRD1CYP3A4 | |
| SCHEMBL14367928 | 0.88 | OPRK1 (1.00) | OPRK1SIGMAR1OPRM1OPRD1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0260555-B1 | BENZO-FUSED CYCLOALKANE AND OXA- AND THIA-, CYCLOALKANE TRANS-1,2-DIAMINE DERIVATIVES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-04-22 | — | — | EP | claimed |