Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.41 |
| ▸ | FEN1 | P39748 | 3/20 | 0.41 |
| ▸ | FYN | P06241 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL2812677 | 0.77 | ALDH1A1 (0.51) | CHRNA7KCNH2ALOX5APFEN1FYN | |
| SCHEMBL2403768 | 0.74 | KDM1A (0.53) | CYP2D6UHRF1HSP90AA1HSP90AB1 | |
| SCHEMBL15574156 | 0.74 | CYP1A2 (0.46) | CHRNA7KCNH2CYP2D6CCNT1CDK9 | |
| SCHEMBL28506984 | 0.73 | DHFR (0.46) | CHRNA7FYN | |
| SCHEMBL15302137 | 0.73 | FYN (0.42) | CHRNA7KCNH2FYNCYP2D6GRIN2B | |
| SCHEMBL15939816 | 0.72 | CHRNA7 (0.55) | CHRNA7KCNH2FEN1CCNT1CDK9 | |
| SCHEMBL30507254 | 0.72 | CHRNA7 (0.55) | CHRNA7KCNH2FEN1CCNT1CDK9 | |
| SCHEMBL15487009 | 0.72 | ALDH1A1 (0.42) | CHRNA7KCNH2CYP2D6ARCCNT1 | |
| SCHEMBL27261198 | 0.72 | GPBAR1 (0.47) | KCNH2CDK9 | |
| SCHEMBL15650695 | 0.71 | CDK9 (0.54) | CHRNA7KCNH2ALOX5APFEN1FYN |
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 |
|---|---|---|---|---|---|---|---|
| CN-101801931-A | Azabiphenylaminobenzoic acid derivatives as dhodh inhibitors | ALMIRALL LAB | 2010-08-11 | — | — | CN | disclosed |