Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | NUDT1 | P36639 | 4/20 | 0.44 |
| ▸ | NOS3 | P29474 | 3/20 | 0.41 |
| ▸ | NOS2 | P35228 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28335609 | 0.86 | CYP1A2 (0.60) | CYP1A2CYP2C19CYP3A4NOS3NOS2 | |
| SCHEMBL16806048 | 0.79 | CYP1A2 (0.42) | CYP1A2CYP2C19CYP3A4NUDT1NOS3 | |
| Ammonia Solution, Strong SCHEMBL27685788 | 0.77 | CYP1A2 (0.41) | CYP1A2CYP2C19CYP3A4NUDT1NOS3 | |
| SCHEMBL8711626 | 0.76 | PIK3CD (0.43) | CYP1A2CYP2C19CYP3A4NUDT1CYP2D6 | |
| SCHEMBL1244598 | 0.75 | NUDT1 (0.43) | CYP1A2CYP2C19CYP3A4NUDT1CYP2D6 | |
| SCHEMBL125549 | 0.74 | HSP90AA1 (0.53) | CYP1A2CYP2C19NUDT1ALOX15ALDH1A1 | |
| SCHEMBL27953449 | 0.74 | F12 (0.48) | CYP1A2CYP3A4NOS3NOS2HSD17B10 | |
| SCHEMBL5269513 | 0.72 | NCF1 (0.49) | CYP3A4CYP2D6ALOX15TDP1HIF1A | |
| SCHEMBL10509342 | 0.72 | LATS1 (0.40) | CYP1A2CYP2C19CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL27754726 | 0.72 | HSP90AA1 (0.42) | NOS3NOS2IRAK4MKNK2NOS1 |
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-1992005158-A1 | 4-ANILINO-PYRIMIDINES, PROCESS FOR PRODUCING THE SAME, AGENTS CONTAINING THE SAME AND THEIR USE AS FUNGICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-04-02 | — | — | WO | disclosed |