Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30564933 | 0.83 | ALDH1A1 (0.56) | ALDH1A1KDM4EGLAGAAGRM2 | |
| SCHEMBL910922 | 0.83 | ALDH1A1 (0.56) | ALDH1A1KDM4EGLAGAAGRM2 | |
| SCHEMBL12289224 | 0.80 | CES2 (0.56) | ALDH1A1PARP1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL2199382 | 0.78 | LMNA (0.45) | ALDH1A1KDM4EGLAGAAGRM2 | |
| SCHEMBL14381011 | 0.77 | MAP2K2 (0.40) | ALDH1A1GRM2TP53PARP1ALOX15 | |
| SCHEMBL9059883 | 0.76 | TSHR (0.54) | ALDH1A1KDM4ETP53MAPK1ALOX15 | |
| SCHEMBL17730420 | 0.75 | USP2 (0.44) | ALDH1A1KDM4EGLAGAATP53 | |
| SCHEMBL17730419 | 0.75 | USP2 (0.44) | ALDH1A1KDM4EGLAGAATP53 | |
| SCHEMBL17737719 | 0.75 | USP2 (0.44) | ALDH1A1KDM4EGLAGAATP53 | |
| SCHEMBL14672052 | 0.74 | ALDH1A1 (0.36) | ALDH1A1KDM4EGLAGAAGRM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |