Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11001118 | 0.84 | HTT (0.50) | TDP1KDM4EGAAL3MBTL1CA12 | |
| SCHEMBL13957114 | 0.83 | TDP1 (0.71) | TDP1SHMT2CYP1A1KDM4EGAA | |
| SCHEMBL15797981 | 0.81 | TDP1 (1.00) | TDP1SHMT2CYP1A1KDM4EGAA | |
| SCHEMBL27719963 | 0.80 | HTT (0.47) | TDP1KDM4EGAAL3MBTL1CA12 | |
| SCHEMBL4667391 | 0.79 | MAPT (0.52) | TDP1KDM4EGAAL3MBTL1MAPK1 | |
| Succinic Acid SCHEMBL175593 | 0.77 | KDM4E (0.53) | TDP1KDM4EGAAL3MBTL1CA12 | |
| SCHEMBL9850232 | 0.76 | TDP1 (0.61) | TDP1SHMT2CYP1A1KDM4EGAA | |
| SCHEMBL6944443 | 0.76 | KMT2A (0.52) | TDP1L3MBTL1MAPK1ALDH1A1MAPT | |
| SCHEMBL4669202 | 0.75 | MAPT (0.47) | TDP1KDM4EGAAL3MBTL1MAPK1 | |
| SCHEMBL7104681 | 0.75 | ALDH1A1 (0.53) | TDP1KDM4EGAACA1CA2 |
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-7452873-B2 | Inhibitors of GSK-3 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-18 | — | — | US | disclosed |
| US-7452873-B2 | Inhibitors of GSK-3 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-18 | — | — | US | disclosed |