Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | LAP3 | P28838 | 1/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21893405 | 0.85 | ALDH1A1 (0.57) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL8694600 | 0.85 | ALDH1A1 (0.53) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL1747758 | 0.85 | ALDH1A1 (0.53) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL10870099 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL7272552 | 0.83 | ALDH1A1 (0.47) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL383649 | 0.83 | ALDH1A1 (0.47) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL8649093 | 0.83 | ALDH1A1 (0.51) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL27638624 | 0.83 | ALDH1A1 (0.47) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL3985411 | 0.83 | SLC7A5 (0.56) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL19331556 | 0.83 | ALDH1A1 (0.47) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101023079-B | Substituted hydantoins for the treatment of cancer | HOFFMANN LA ROCHE | 2010-05-05 | — | — | CN | disclosed |
| CN-101023079-A | Substituted hydantoins for the treatment of cancer | HOFFMANN LA ROCHE (CH) | 2007-08-22 | — | — | CN | disclosed |