Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22601732 | 0.84 | ACE (0.34) | CYP2D6ACEPTGS1PTGS2OPRK1 | |
| SCHEMBL28088919 | 0.82 | PTGS1 (0.40) | CYP2D6ACEPTGS1PTGS2OPRK1 | |
| SCHEMBL10453942 | 0.76 | CYP2D6 (0.44) | CYP2D6ACEPTGS1PTGS2OPRK1 | |
| SCHEMBL13104108 | 0.76 | CYP2D6 (0.44) | CYP2D6ACEPTGS1PTGS2OPRK1 | |
| SCHEMBL11904413 | 0.73 | CYP2D6 (0.39) | CYP2D6PTGS1PTGS2OPRK1HTT | |
| SCHEMBL29107614 | 0.71 | CYP2D6 (0.50) | CYP2D6KMT2A | |
| SCHEMBL28379100 | 0.71 | CYP2D6 (0.50) | CYP2D6KMT2A | |
| SCHEMBL87947 | 0.71 | CYP2D6 (0.50) | CYP2D6KMT2A | |
| SCHEMBL9509490 | 0.71 | NOS3 (0.33) | KMT2A | |
| SCHEMBL1767335 | 0.70 | CYP2D6 (0.37) | CYP2D6PTGS1PTGS2OPRK1HTT |
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-20230206644-A1 | PYRAZOLOPYRIMIDINE COMPOUNDS AS JAK INHIBITORS | GENENTECH, INC. (US) | 2023-06-29 | — | — | US | disclosed |