Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.57 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | PLG | P00747 | 1/20 | 0.49 |
| ▸ | PLAU | P00749 | 1/20 | 0.49 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8746137 | 0.88 | CYP2A6 (0.57) | CYP2A6IMPDH2ALDH1A1KDM4EMAPT | |
| SCHEMBL2279626 | 0.87 | PLG (0.47) | CYP2A6IMPDH2ALDH1A1KDM4EMAPT | |
| SCHEMBL29955610 | 0.85 | CYP2A6 (0.51) | CYP2A6IMPDH2ALDH1A1KDM4EMAPT | |
| SCHEMBL6819310 | 0.81 | CYP2A6 (0.58) | CYP2A6IMPDH2ALDH1A1KDM4EMAPT | |
| SCHEMBL29957436 | 0.81 | CYP2A6 (0.58) | CYP2A6IMPDH2ALDH1A1KDM4EMAPT | |
| SCHEMBL23725271 | 0.81 | CYP2A6 (0.63) | CYP2A6IMPDH2ALDH1A1KDM4EMAPT | |
| SCHEMBL1418239 | 0.79 | IMPDH2 (0.61) | CYP2A6IMPDH2ALDH1A1KDM4EMAPT | |
| SCHEMBL29951517 | 0.79 | IMPDH2 (0.61) | CYP2A6IMPDH2ALDH1A1KDM4EMAPT | |
| SCHEMBL2535062 | 0.78 | CYP2A6 (0.61) | CYP2A6IMPDH2ALDH1A1KDM4EMAPT | |
| SCHEMBL8746106 | 0.77 | CYP2A6 (0.56) | CYP2A6IMPDH2ALDH1A1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1226141-A1 | HETEROCYCLIC SUBSTITUTED PYRAZOLONES | CEPHALON, INC. (US) | 2002-07-31 | — | — | EP | disclosed |
| WO-2001032653-A1 | HETEROCYCLIC SUBSTITUTED PYRAZOLONES | CEPHALON, INC. (US) | 2001-05-10 | — | — | WO | disclosed |