Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27414320 | 0.85 | MAPT (0.47) | ALDH1A1LMNAMAPTNPSR1HTT | |
| SCHEMBL1695615 | 0.83 | CA12 (0.47) | ALDH1A1LMNAMAPTNPSR1HTT | |
| SCHEMBL1695491 | 0.81 | ESR1 (0.45) | ALDH1A1LMNAMAPTNPSR1CA12 | |
| SCHEMBL27956963 | 0.80 | LMNA (0.56) | ALDH1A1LMNAMAPTNPSR1HTT | |
| SCHEMBL13313529 | 0.79 | SMN1; SMN2 (0.50) | ALDH1A1LMNAMAPTNPSR1HTT | |
| SCHEMBL28252556 | 0.78 | AKR1C3 (0.53) | ALDH1A1LMNAMAPTNPSR1HPGD | |
| SCHEMBL15389739 | 0.78 | SMN1; SMN2 (0.49) | ALDH1A1LMNAMAPTNPSR1HPGD | |
| SCHEMBL15389738 | 0.78 | SMN1; SMN2 (0.49) | ALDH1A1LMNAMAPTNPSR1HPGD | |
| SCHEMBL11685143 | 0.77 | HTT (0.55) | ALDH1A1LMNAMAPTNPSR1HTT | |
| SCHEMBL1695650 | 0.77 | ALDH1A1 (0.73) | ALDH1A1HTTAKR1C3AKR1C2AKR1C1 |
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-2011138657-A1 | ARYL SUBSTITUTED OLEFINIC COMPOUNDS AS PDE10A INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-11-10 | — | — | WO | disclosed |