Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 5/20 | 0.49 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP4 | P49662 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CASP9 | P55211 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11617831 | 0.89 | ALDH1A1 (0.52) | ALDH1A1MAPTCA12CA9CA1 | |
| SCHEMBL11620089 | 0.89 | ALDH1A1 (0.52) | ALDH1A1MAPTCA12CA9CA1 | |
| SCHEMBL11618204 | 0.89 | ALDH1A1 (0.47) | ALDH1A1MAPTCA12CA9CA1 | |
| SCHEMBL11618634 | 0.88 | ALDH1A1 (0.49) | ALDH1A1MAPTCA12CA9CA1 | |
| SCHEMBL11621952 | 0.88 | ALDH1A1 (0.49) | ALDH1A1MAPTCA12CA9CA1 | |
| SCHEMBL11622633 | 0.88 | ALDH1A1 (0.49) | ALDH1A1MAPTCA12CA9CA1 | |
| SCHEMBL11623896 | 0.85 | ALDH1A1 (0.55) | ALDH1A1MAPTCA12CA9CA1 | |
| SCHEMBL11621860 | 0.84 | RECQL (0.49) | ALDH1A1MAPTCA12CA9CA1 | |
| SCHEMBL11721772 | 0.84 | ALDH1A1 (0.57) | ALDH1A1MAPTCA12CA9CA1 | |
| SCHEMBL11623903 | 0.82 | ALDH1A1 (0.55) | ALDH1A1MAPTCA12CA9CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4124593-A | ANTICONVULSANTS, EPILEPSY | CIBA-GEIGY CORPORATION (US) | 1978-11-07 | — | — | US | disclosed |
| US-4025505-A | ANTICONVULSANTS | CIBA-GEIGY CORPORATION (US) | 1977-05-24 | — | — | US | disclosed |