Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4495477 | 0.86 | ALDH1A1 (0.42) | ERN1ALDH1A1DHFRHPGDGLA | |
| SCHEMBL4491009 | 0.82 | ALDH1A1 (0.43) | ALDH1A1HPGDL3MBTL1POLB | |
| SCHEMBL4498679 | 0.73 | CCNC (0.36) | ALDH1A1HPGDL3MBTL1POLB | |
| SCHEMBL4488870 | 0.72 | MEN1 (0.43) | ALDH1A1 | |
| SCHEMBL4495792 | 0.70 | ERN1 (0.47) | ERN1ALDH1A1DHFRHPGDL3MBTL1 | |
| SCHEMBL4496740 | 0.70 | GRM5 (0.39) | TGFBR1TP53POLB | |
| SCHEMBL4504195 | 0.70 | CCR1 (0.38) | ALDH1A1CNR1 | |
| SCHEMBL4488653 | 0.69 | ERCC1 (0.38) | ALDH1A1HPGDTDP1L3MBTL1POLB | |
| SCHEMBL4485732 | 0.69 | KMT2A (0.47) | POLB | |
| SCHEMBL3032014 | 0.69 | KMO (0.63) | ERN1GABRG2GABRB3GABRA5GABRA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7504429-B2 | Tyrosine kinase inhibitors | MERCK & CO., INC. (US) | 2009-03-17 | — | — | US | claimed |