Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7916403 | 0.83 | ALDH1A1 (0.40) | ALDH1A1MAPK1HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL7913465 | 0.83 | ALDH1A1 (0.40) | ALDH1A1MAPK1HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL2871464 | 0.82 | ALDH1A1 (0.42) | ALDH1A1MAPK1HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL7916445 | 0.81 | ALDH1A1 (0.40) | ALDH1A1MAPK1HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL7914406 | 0.80 | CYP1A2 (0.38) | ALDH1A1MAPK1HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL7914421 | 0.80 | ALDH1A1 (0.40) | ALDH1A1MAPK1HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL20975374 | 0.76 | PDE10A (0.44) | ALDH1A1MAPK1HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL7906146 | 0.72 | SQOR (0.47) | ALDH1A1KDM4EMAPTGAAHPGD | |
| SCHEMBL12495119 | 0.72 | HTR2C (0.41) | ALDH1A1MAPK1HSD17B10CYP1A2MAPT | |
| SCHEMBL7913446 | 0.71 | SQOR (0.44) | ALDH1A1KDM4EMAPTGAAHPGD |
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-6297258-B1 | USEFUL AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE. | AMERICAN CYANAMID COMPANY | 2001-10-02 | — | — | US | disclosed |