Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 4/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL21189420 | 0.82 | CYP3A4 (0.38) | KIF11CYP3A4CYP2C9ACEHTR2C | |
| SCHEMBL22991406 | 0.80 | KIF11 (0.33) | KIF11 | |
| SCHEMBL21189661 | 0.80 | ESR1 (0.41) | KIF11CYP3A4ALDH1A1 | |
| SCHEMBL21189675 | 0.79 | CYP3A4 (0.39) | KIF11CYP3A4CYP2C9ACEHTR2C | |
| SCHEMBL21189421 | 0.79 | CYP3A4 (0.41) | KIF11CYP3A4CYP2C9ACEHTR2C | |
| SCHEMBL21189676 | 0.78 | CYP3A4 (0.40) | CYP3A4CYP2C9ACEHTR2CLMNA | |
| SCHEMBL21189651 | 0.74 | ESR1 (0.45) | CYP3A4MAPTALDH1A1 | |
| SCHEMBL6902989 | 0.73 | SLC6A2 (0.49) | CYP3A4CYP2C9HTR2CLMNAHTT | |
| SCHEMBL4329015 | 0.73 | SLC6A2 (0.49) | CYP3A4CYP2C9HTR2CLMNAHTT | |
| SCHEMBL23082023 | 0.72 | DEGS1 (0.53) | CYP3A4CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3744710-A1 | COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2020-12-02 | — | — | EP | disclosed |
| 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 |