Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.43 |
| ▸ | COPS5 | Q92905 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | CCR8 | P51685 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8491757 | 0.82 | CYP1A2 (0.45) | CYP1A2CYP2A6PSMD14COPS5ALDH1A1 | |
| SCHEMBL21917567 | 0.81 | PLAU (0.46) | CYP1A2PSMD14COPS5CHRM4CYP2D6 | |
| SCHEMBL25003241 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2A6CYP2D6TSHRMAPK1 | |
| SCHEMBL27835401 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2A6PSMD14COPS5CYP2D6 | |
| SCHEMBL8404538 | 0.77 | CYP2A6 (0.59) | CYP1A2CYP2A6PSMD14COPS5CYP2D6 | |
| SCHEMBL6588890 | 0.74 | TDP1 (0.56) | MAPK1ALDH1A1HTTPOLBL3MBTL1 | |
| SCHEMBL30727430 | 0.74 | CA2 (0.59) | CYP1A2TSHRMAPK1CYP2C19HTT | |
| SCHEMBL2614918 | 0.74 | NOS3 (0.48) | CYP1A2CYP2A6CHRM4CYP2D6TSHR | |
| SCHEMBL1536453 | 0.73 | CYP2A6 (0.54) | CYP1A2CYP2A6PSMD14COPS5MAPK1 | |
| SCHEMBL16006827 | 0.73 | CYP1A2 (0.54) | CYP1A2CYP2A6PSMD14COPS5ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999011622-A1 | AMINO-SUBSTITUTED COMPOUNDS, METHODS, AND COMPOSITIONS FOR INHIBITING PARP ACTIVITY | GUILFORD PHARMACEUTICALS INC. (US) | 1999-03-11 | — | — | WO | claimed |
| WO-1999011622-A1 | AMINO-SUBSTITUTED COMPOUNDS, METHODS, AND COMPOSITIONS FOR INHIBITING PARP ACTIVITY | GUILFORD PHARMACEUTICALS INC. (US) | 1999-03-11 | — | — | WO | disclosed |