Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.37 |
| ▸ | CDK4 | P11802 | 2/20 | 0.37 |
| ▸ | CCND1 | P24385 | 2/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8886941 | 0.88 | NR1H2 (0.49) | CYP1A2LMNATP53CCNE2CDK4 | |
| SCHEMBL8888641 | 0.85 | MAPT (0.46) | CYP1A2RXRARXRBTP53MEN1 | |
| SCHEMBL8889732 | 0.82 | CYP1A2 (0.41) | CYP1A2GPR119LMNATP53CCNE2 | |
| SCHEMBL8887621 | 0.82 | CYP1A2 (0.50) | CYP1A2GPR119LMNATP53CCNE2 | |
| SCHEMBL8889202 | 0.80 | CYP1A2 (0.41) | CYP1A2GPR119TP53MEN1KMT2A | |
| SCHEMBL8890194 | 0.79 | CYP1A2 (0.50) | CYP1A2GPR119CCNE2CDK4CCND1 | |
| SCHEMBL8887885 | 0.79 | CYP1A2 (0.50) | CYP1A2GPR119LMNATP53MAPK1 | |
| SCHEMBL8888361 | 0.79 | CYP1A2 (0.50) | CYP1A2GPR119TP53HPGDMAPT | |
| SCHEMBL8889663 | 0.79 | CYP1A2 (0.47) | CYP1A2PDE3APDE5AGPR119LMNA | |
| SCHEMBL8889051 | 0.78 | LMNA (0.60) | CYP1A2LMNATP53CCNE2CDK4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997001551-A1 | PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-01-16 | — | — | WO | disclosed |