Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5312469 | 0.89 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL5718757 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL25734367 | 0.81 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL6171639 | 0.81 | ALDH1A1 (0.78) | ALDH1A1MEN1KMT2A | |
| SCHEMBL2593349 | 0.80 | CYP1A2 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL29750606 | 0.79 | TTR (0.64) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL704754 | 0.79 | TTR (0.64) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL30286022 | 0.78 | POLB (0.49) | ALDH1A1MEN1KMT2AMAPTHPGD | |
| SCHEMBL2593397 | 0.78 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2C19MAPT | |
| SCHEMBL5673785 | 0.78 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2C19MAPT |
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-2004050646-A1 | 1, 2, 5-THIADIAZOLIDIN-3-ONE 1, 1 DIOXIDE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PTP1B | ASTRAZENECA AB (SE) | 2004-06-17 | — | — | WO | disclosed |