Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATF1 | P18846 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | CCKAR | P32238 | 12/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4770069 | 0.89 | ATF1 (0.41) | ATF1NFKB1PIN1KDM4EALDH1A1 | |
| SCHEMBL4764854 | 0.88 | CCKAR (0.45) | AKR1C3AKR1C2AKR1C1PTGS1CCKAR | |
| SCHEMBL4775298 | 0.82 | ACHE (0.41) | AKR1C3AKR1C2AKR1C1PTGS1KDM4E | |
| SCHEMBL4769954 | 0.81 | TSPO (0.41) | AKR1C3AKR1C2AKR1C1PTGS1CCKAR | |
| SCHEMBL4767519 | 0.79 | P4HTM (0.42) | CCKARALDH1A1 | |
| SCHEMBL4770006 | 0.78 | NFKB1 (0.47) | ATF1NFKB1AKR1C3AKR1C2 | |
| SCHEMBL4765186 | 0.77 | CCKAR (0.43) | CCKARPIN1 | |
| SCHEMBL4764898 | 0.77 | ESR1 (0.42) | CCKARKDM4EALDH1A1 | |
| SCHEMBL4768134 | 0.77 | P4HTM (0.35) | AKR1C3AKR1C2CCKAR | |
| SCHEMBL4767426 | 0.74 | KMT2A (0.41) | NFKB1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1581531-B1 | PYRIDINO¬2,3-D PYRIMIDINE DERIVATIVES AS SELECTIIVE KDR AND FGFR INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-02-27 | — | — | EP | claimed |