Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL31063385 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL28373416 | 0.90 | ALDH1A1 (0.44) | ALDH1A1HPGDSMN1; SMN2KMT2ALMNA | |
| SCHEMBL7792001 | 0.86 | CA12 (0.42) | ALDH1A1CYP1A2CYP2C19CA12CA1 | |
| SCHEMBL31254048 | 0.86 | CA12 (0.42) | ALDH1A1CYP1A2CYP2C19CA12CA1 | |
| SCHEMBL10636549 | 0.83 | CA2 (0.64) | ALDH1A1CYP1A2CYP2C19CYP2D6CA12 | |
| SCHEMBL19612492 | 0.82 | CA12 (0.56) | ALDH1A1CYP2C19CYP2D6HPGDCA12 | |
| SCHEMBL9256790 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPTGAAKMT2A | |
| SCHEMBL29634588 | 0.81 | CA12 (0.65) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL258418 | 0.81 | CA12 (0.65) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL29640657 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD |
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-2009005459-A1 | PHENYL-1,2, 3,4-TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A PAIN DISORDER | ASTRAZENECA AB (SE) | 2009-01-08 | — | — | WO | disclosed |