Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 9/20 | 0.55 |
| ▸ | TACR2 | P21452 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | UTS2R | Q9UKP6 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13691863 | 0.91 | TACR2 (0.49) | OPRK1TACR2RAB9AALDH1A1KDM4E | |
| SCHEMBL13691859 | 0.90 | OPRK1 (0.43) | OPRK1TACR2RAB9ASLC6A4 | |
| SCHEMBL13190976 | 0.84 | OPRK1 (0.52) | OPRK1TACR2RAB9AUTS2RALDH1A1 | |
| SCHEMBL13689521 | 0.82 | OPRK1 (0.51) | OPRK1TACR2RAB9AALDH1A1KDM4E | |
| SCHEMBL13691855 | 0.82 | DRD2 (0.45) | OPRK1TACR2UTS2RALDH1A1SLC6A4 | |
| SCHEMBL13691857 | 0.81 | DRD2 (0.45) | OPRK1TACR2UTS2RCYP2D6ALDH1A1 | |
| SCHEMBL13189120 | 0.81 | SIGMAR1 (0.58) | OPRM1ALDH1A1TMEM97SIGMAR1KMT2A | |
| SCHEMBL13189110 | 0.80 | TMEM97 (0.48) | OPRK1CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL13691854 | 0.80 | OPRK1 (0.47) | OPRK1TACR2RAB9AUTS2RALDH1A1 | |
| SCHEMBL13189114 | 0.78 | PIN1 (0.40) | OPRK1RAB9ASLC6A4KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009105823-A1 | 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS | MIMETICA PTY LTD (AU) | 2009-09-03 | — | — | WO | disclosed |