Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 9/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9382448 | 0.91 | CYP19A1 (0.45) | CES2ALDH1A1RAB9ACYP11B1CYP11B2 | |
| SCHEMBL9382915 | 0.89 | CYP19A1 (0.44) | CES2CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL9378469 | 0.89 | CYP11B1 (0.46) | CES2CYP3A4ALDH1A1CYP1A2MAPT | |
| SCHEMBL9378296 | 0.89 | CES2 (0.55) | CES2CYP3A4CYP1A2MAPTCYP11B1 | |
| SCHEMBL9379946 | 0.88 | TBXAS1 (0.41) | CES2LMNACYP11B1CYP11B2CYP19A1 | |
| SCHEMBL9379777 | 0.87 | CYP19A1 (0.43) | CES2ALDH1A1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL9383381 | 0.87 | CYP11B1 (0.36) | CYP3A4CYP1A2MAPTLMNATP53 | |
| SCHEMBL9378758 | 0.84 | SIGMAR1 (0.39) | LMNACYP11B1CYP11B2CYP19A1CYP17A1 | |
| SCHEMBL9378248 | 0.81 | LOX (0.50) | CES2CYP3A4CYP1A2MAPTCYP11B1 | |
| SCHEMBL9380139 | 0.81 | TBXAS1 (0.41) | CES2LMNACYP11B1CYP11B2CYP19A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0269030-B1 | Lipid-peroxide formation inhibiting composition and novel compounds useful therefor | MITSUBISHI CHEM IND (JP) | 1994-05-04 | — | — | EP | disclosed |
| US-5089515-A | Antiischemic agents; pyrazolone compounds | MITSUBISHI KASEI CORPORATION (JP) | 1992-02-18 | — | — | US | disclosed |
| US-4990619-A | Cardiovascular disorders, antiischemic agents | MITSUBISHI KASEI CORPORATION (JP) | 1991-02-05 | — | — | US | disclosed |
| US-4906644-A | Lipid-peroxide formation inhibiting composition and novel compounds useful therefor | MITSUBISHI KASEI CORPORATION (JP) | 1990-03-06 | — | — | US | disclosed |