Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.33 |
| ▸ | P2RY14 | Q15391 | 4/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | GALR1 | P47211 | 1/20 | 0.31 |
| ▸ | ACE | P12821 | 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 | |
|---|---|---|---|---|
| SCHEMBL22737898 | 0.95 | CYP3A4 (0.38) | CYP3A4CYP2C9MAPTHSP90AA1GAA | |
| SCHEMBL21189637 | 0.83 | KIF11 (0.31) | — | |
| SCHEMBL21189812 | 0.83 | KIF11 (0.31) | — | |
| SCHEMBL21189421 | 0.82 | CYP3A4 (0.41) | CYP3A4CYP2C9MAPTHSP90AA1GAA | |
| SCHEMBL21189420 | 0.81 | CYP3A4 (0.38) | CYP3A4CYP2C9MAPTHSP90AA1GAA | |
| SCHEMBL23861380 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP2C9MAPTHSP90AA1GAA | |
| SCHEMBL22737900 | 0.79 | CYP3A4 (0.34) | CYP3A4CYP2C9 | |
| SCHEMBL21189414 | 0.78 | KIF11 (0.40) | CYP3A4CYP2C9MAPTCNR2ACE | |
| SCHEMBL21189631 | 0.78 | KIF11 (0.40) | CYP2C9 | |
| SCHEMBL22738049 | 0.76 | — | — |
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-2019142897-A1 | COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD | 三菱瓦斯化学株式会社 | 2019-07-25 | — | — | WO | disclosed |