Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.42 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10402082 | 1.00 | OPRK1 (0.44) | OPRK1CYP2D6CYP3A4CYP2C9PDGFRA | |
| SCHEMBL2777368 | 0.84 | CYP2D6 (0.52) | OPRK1CYP2D6MAPK1EPHX1KMT2A | |
| SCHEMBL14871996 | 0.84 | CYP2D6 (0.52) | OPRK1CYP2D6MAPK1EPHX1KMT2A | |
| SCHEMBL2478440 | 0.84 | CYP2D6 (0.52) | OPRK1CYP2D6MAPK1EPHX1KMT2A | |
| SCHEMBL12174989 | 0.81 | OPRK1 (0.47) | OPRK1CYP2D6MAPK1EPHX1KMT2A | |
| SCHEMBL10402081 | 0.81 | OPRK1 (0.44) | OPRK1CYP2D6MAPK1EPHX1KMT2A | |
| SCHEMBL15359365 | 0.81 | OPRK1 (0.47) | OPRK1CYP2D6MAPK1EPHX1KMT2A | |
| SCHEMBL12158471 | 0.78 | OPRK1 (0.45) | OPRK1CYP2D6CYP3A4EPHX1KMT2A | |
| SCHEMBL11991382 | 0.78 | KMT2A (0.61) | OPRK1CYP2D6CYP3A4CYP2C9KMT2A | |
| SCHEMBL8505416 | 0.78 | KMT2A (0.61) | OPRK1CYP2D6CYP3A4CYP2C9KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5854268-A | Azetidine, pyrrolidine and piperidine derivatives | MERCK SHARP & DOHME, LTD. (GB) | 1998-12-29 | — | — | US | disclosed |