Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKD1 | Q15139 | 8/20 | 0.58 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.47 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6923851 | 0.85 | PRKD1 (0.63) | PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL937644 | 0.85 | NPC1 (0.67) | PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL966138 | 0.84 | PRKD1 (0.62) | PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL6922488 | 0.84 | PRKD1 (0.62) | PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL6923923 | 0.80 | PRKD1 (0.82) | PRKD1ROCK2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6924745 | 0.78 | PRKD1 (0.54) | PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL6923596 | 0.78 | PRKD1 (0.68) | PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL957994 | 0.77 | PRKD1 (0.81) | PRKD1ALDH1A1PRKD3PRKD2 | |
| SCHEMBL6924477 | 0.76 | PRKD1 (0.56) | PRKD1ROCK2PRKD3PRKD2ROCK1 | |
| SCHEMBL964036 | 0.76 | PRKD1 (0.66) | PRKD1NPC1RAB9ASMN1; SMN2ALDH1A1 |
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-2011009484-A1 | ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS | NOVARTIS AG (CH) | 2011-01-27 | — | — | WO | disclosed |