Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | FPR1 | P21462 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| Phenylbutazone SCHEMBL8005041 | 0.79 | RAB9A (0.82) | CYP3A4CYP1A2CYP2C19ALDH1A1LMNA | |
| Phenylbutazone SCHEMBL3632 | 0.79 | RAB9A (0.82) | CYP3A4CYP1A2CYP2C19ALDH1A1LMNA | |
| Phenylbutazone SCHEMBL2122724 | 0.78 | RAB9A (0.80) | CYP3A4CYP1A2CYP2C19ALDH1A1LMNA | |
| Phenylbutazone SCHEMBL2874252 | 0.78 | RAB9A (0.80) | CYP3A4CYP1A2CYP2C19ALDH1A1LMNA | |
| Phenylbutazone SCHEMBL7715162 | 0.78 | RAB9A (0.80) | CYP3A4CYP1A2CYP2C19ALDH1A1LMNA | |
| Phenylbutazone SCHEMBL21694456 | 0.78 | RAB9A (0.80) | CYP3A4CYP1A2CYP2C19ALDH1A1LMNA | |
| Phenylbutazone SCHEMBL10913190 | 0.78 | RAB9A (0.80) | CYP3A4CYP1A2CYP2C19ALDH1A1LMNA | |
| SCHEMBL29489697 | 0.77 | ALDH1A1 (0.73) | CYP3A4CYP1A2CYP2C19ALDH1A1LMNA | |
| Phenylbutazone SCHEMBL11269971 | 0.76 | ALDH1A1 (0.72) | CYP3A4CYP1A2CYP2C19ALDH1A1LMNA | |
| SCHEMBL23295125 | 0.75 | LMNA (0.67) | CYP3A4CYP1A2CYP2C19ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4344956-A | Oxotetrahydrothiophenes | ERCOLI NICOLO | 1982-08-17 | — | — | US | disclosed |