Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11294014 | 0.78 | CYP2C19 (0.55) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL10817859 | 0.76 | CYP2C19 (0.46) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL14338559 | 0.73 | CYP2C19 (0.44) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL17837304 | 0.72 | CYP2C19 (0.32) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL8567197 | 0.71 | CYP2C19 (0.33) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL19576702 | 0.71 | CYP2C19 (0.37) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL13009913 | 0.70 | CYP2C19 (0.41) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL4554424 | 0.70 | CYP2C19 (0.41) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL1577155 | 0.70 | ATM (0.45) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR | |
| SCHEMBL16391277 | 0.68 | CYP2C19 (0.40) | CYP2C19CYP3A4ALDH1A1CYP2C9TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-RE35865-E | Preparation of glutaric acid derivatives | PFIZER INC. (US) | 1998-07-28 | — | — | US | disclosed |
| US-5714628-A | CARBOXYLATION A CYCLOHEXANONES TO A CYCLOPENTANECARBOXYLIC ACIDS WITH HYDROGEN PEROXIDE | PFIZER, INC. (US) | 1998-02-03 | — | — | US | disclosed |