Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.52 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.49 |
| ▸ | PRKCI | P41743 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | CASR | P41180 | 1/20 | 0.45 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6930518 | 0.85 | CYP2A6 (0.56) | CYP2A6AOC3MAP2K4FFAR1MAOB | |
| SCHEMBL15498628 | 0.84 | PRKCI (0.55) | PRKCICNR2 | |
| SCHEMBL20530680 | 0.82 | MAP2K4 (0.45) | AOC3MAP2K4PRKCIMAOBCSNK2A1 | |
| SCHEMBL3643354 | 0.81 | AOC3 (0.52) | CYP2A6AOC3FFAR1MAOBCASR | |
| SCHEMBL12577777 | 0.81 | MAP2K4 (0.53) | MAP2K4PRKCICNR2 | |
| SCHEMBL10665717 | 0.80 | MAOB (0.63) | CYP2A6MAP2K4MAOBCSNK2A1SCN9A | |
| SCHEMBL4079253 | 0.80 | FFAR1 (0.57) | CYP2A6AOC3FFAR1 | |
| SCHEMBL9479255 | 0.80 | CYP2A6 (0.71) | CYP2A6AOC3MAOBSCN9A | |
| SCHEMBL29628996 | 0.80 | CYP2A6 (0.71) | CYP2A6AOC3MAOBSCN9A | |
| SCHEMBL20994110 | 0.79 | ALDH1A1 (0.59) | PRKCIMAOBCNR2 |
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-102985426-A | Pyrazolo [1, 5A ] pyrimidine and thieno [3, 2B ] pyrimidine derivatives as IRAK4 modulators | HOFFMANN LA ROCHE | 2013-03-20 | — | — | CN | disclosed |