Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22737899 | 0.94 | CYP3A4 (0.42) | CYP3A4CYP2C9APPKIF11ACE | |
| SCHEMBL21189675 | 0.88 | CYP3A4 (0.39) | CYP3A4CYP2C9APPKIF11ACE | |
| SCHEMBL23861381 | 0.85 | CYP3A4 (0.48) | CYP3A4CYP2C9APPKIF11ACE | |
| SCHEMBL22737553 | 0.84 | S1PR1 (0.42) | CYP3A4CYP2C9KIF11ACES1PR1 | |
| SCHEMBL21189810 | 0.83 | ESR1 (0.44) | KIF11ALDH1A1ESR1ESR2 | |
| SCHEMBL21189626 | 0.82 | ESR1 (0.47) | CYP3A4KIF11ALDH1A1ESR1ESR2 | |
| SCHEMBL21189522 | 0.80 | KIF11 (0.42) | CYP2C9KIF11ESR1ESR2 | |
| SCHEMBL21189633 | 0.80 | KIF11 (0.42) | CYP2C9KIF11ESR1ESR2 | |
| SCHEMBL22738052 | 0.76 | ESR2 (0.46) | KIF11ADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL21189421 | 0.76 | CYP3A4 (0.41) | CYP3A4CYP2C9KIF11ACEKMT2A |
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 |