Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | UBE2N | P61088 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | SNCA | P37840 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11877009 | 0.82 | CASP3 (0.45) | CYP1A2CYP2C19LMNACASP3L3MBTL1 | |
| SCHEMBL11807970 | 0.74 | CYP1A2 (0.54) | CYP1A2CYP2C19LMNACASP3CACNA2D1 | |
| SCHEMBL11800225 | 0.73 | CYP1A2 (0.56) | CYP1A2CYP2C19LMNACASP3L3MBTL1 | |
| SCHEMBL11877772 | 0.73 | ALDH1A1 (0.50) | CASP3L3MBTL1HSD17B10MAPTALDH1A1 | |
| SCHEMBL11806646 | 0.67 | CYP1A2 (0.49) | CYP1A2CYP2C19LMNACYP3A4CYP2C9 | |
| SCHEMBL11879082 | 0.65 | TSHR (0.47) | CYP1A2CYP2C19LMNACASP3L3MBTL1 | |
| SCHEMBL2644044 | 0.64 | CASP3 (0.87) | CYP1A2CYP2C19LMNACASP3L3MBTL1 | |
| SCHEMBL11806199 | 0.63 | TSHR (0.69) | CYP1A2CYP2C19LMNAHTTMAPT | |
| SCHEMBL2473625 | 0.63 | CASP3 (0.61) | CYP1A2CYP2C19CASP3MAPTALDH1A1 | |
| SCHEMBL11800081 | 0.62 | TSHR (0.53) | CYP1A2CYP2C19LMNAHTTHPGD |
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-3975386-A | PYRIDOPYRIMIDINE-ONE INTERMEDIATES | SANDOZ, INC. (US) | 1976-08-17 | — | — | US | disclosed |