Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 11/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.48 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL13689521 | 0.92 | OPRK1 (0.51) | TACR2OPRK1SMYD2KDM4EALDH1A1 | |
| SCHEMBL13691861 | 0.91 | OPRK1 (0.55) | TACR2OPRK1KDM4EALDH1A1RAB9A | |
| SCHEMBL13190976 | 0.87 | OPRK1 (0.52) | TACR2OPRK1SMYD2KDM4EALDH1A1 | |
| SCHEMBL13691855 | 0.86 | DRD2 (0.45) | TACR2OPRK1ALDH1A1 | |
| SCHEMBL13691857 | 0.85 | DRD2 (0.45) | TACR2OPRK1ALDH1A1 | |
| SCHEMBL13189110 | 0.82 | TMEM97 (0.48) | OPRK1ALDH1A1TMEM97SIGMAR1 | |
| SCHEMBL13689526 | 0.82 | SMYD2 (0.45) | SMYD2 | |
| SCHEMBL13691854 | 0.82 | OPRK1 (0.47) | TACR2OPRK1SMYD2KDM4EALDH1A1 | |
| SCHEMBL13189120 | 0.81 | SIGMAR1 (0.58) | ALDH1A1TMEM97SIGMAR1 | |
| SCHEMBL13691797 | 0.81 | DRD2 (0.54) | TMEM97SIGMAR1 |
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 |