Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PTGER1 | P34995 | 6/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | KDM5A | P29375 | 1/20 | 0.30 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL615622 | 0.79 | KCNQ2 (0.43) | AKT1ALDH1A1FFAR1GRM5CA1 | |
| SCHEMBL4594365 | 0.77 | ALDH1A1 (0.34) | ALDH1A1LMNA | |
| SCHEMBL29962624 | 0.74 | LOXL2 (0.49) | AKT1FFAR1CA2CA9CYP3A4 | |
| SCHEMBL501336 | 0.74 | LOXL2 (0.49) | AKT1FFAR1CA2CA9CYP3A4 | |
| SCHEMBL1670067 | 0.74 | PARP1 (0.35) | AKT1CA1CA2CA9CYP1A2 | |
| SCHEMBL3116042 | 0.74 | CYP1A2 (0.39) | AKT1CA1CA2CA9CYP1A2 | |
| SCHEMBL5793683 | 0.74 | RECQL (0.49) | AKT1LMNAFFAR1GRM5CA1 | |
| SCHEMBL18585998 | 0.73 | ALDH1A1 (0.36) | ALDH1A1LMNAKDM5AKDM4C | |
| SCHEMBL4593796 | 0.73 | RECQL (0.47) | ALDH1A1LMNAHRH3KDM5AKDM4C | |
| SCHEMBL29995296 | 0.73 | LOX (0.56) | LMNAFFAR1CA1CA2CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1891047-A4 | 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS | BAYER HEALTHCARE AG (DE) | 2008-07-09 | — | — | EP | disclosed |
| EP-1891047-A2 | 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS | Bayer HealthCare AG (DE) | 2008-02-27 | — | — | EP | disclosed |
| WO-2006133006-A2 | 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS | BAYER HEALTHCARE AG (DE) | 2006-12-14 | — | — | WO | disclosed |