Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.49 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 2/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.44 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.44 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.44 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL722165 | 0.85 | BCAT2 (0.47) | KMT2AMEN1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7787418 | 0.84 | HDAC8 (0.43) | DHODHFOLH1MAP2K4KMT2AMEN1 | |
| SCHEMBL7815771 | 0.81 | MCL1 (0.60) | KMOFOLH1MAPK1MAP2K4MAPKAPK3 | |
| SCHEMBL9053835 | 0.79 | BCAT2 (0.49) | KMT2AMEN1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7782141 | 0.77 | HPGDS (0.47) | MAPK1 | |
| SCHEMBL7782229 | 0.76 | CAPN1 (0.51) | — | |
| SCHEMBL7789876 | 0.76 | DYRK1A (0.46) | HPGD | |
| SCHEMBL22005585 | 0.76 | ALDH1A1 (0.47) | KMT2AMEN1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL28928988 | 0.76 | MEN1 (0.46) | MAPK1KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL7789847 | 0.75 | PPARG (0.39) | — |
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-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |
| US-6103720-A | ENZYME INHIBITORS; ANTIICHEMIC AND -TUMOR AGENTS; STROKES; ALZEIMER'S DISEASE | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-15 | — | — | US | disclosed |