Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL1293449 | 0.86 | GSK3B (0.41) | ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10 | |
| SCHEMBL18463872 | 0.82 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10 | |
| SCHEMBL2000194 | 0.81 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2HTTMAPK1NPC1 | |
| SCHEMBL13905401 | 0.81 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10 | |
| SCHEMBL12647223 | 0.79 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10 | |
| SCHEMBL12571875 | 0.79 | TSHR (0.52) | ALDH1A1SMN1; SMN2TSHRHTTMAPK1 | |
| SCHEMBL27887111 | 0.78 | BACE1 (0.46) | ALDH1A1SMN1; SMN2HTTNPC1RAB9A | |
| SCHEMBL18463765 | 0.76 | PABPC1 (0.39) | ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10 | |
| SCHEMBL15447229 | 0.76 | HTT (0.46) | ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10 | |
| SCHEMBL13362101 | 0.76 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102712623-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2014-04-02 | — | — | CN | disclosed |