Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.39 |
| ▸ | RAB9A | P51151 | 9/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SCD | O00767 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16612797 | 0.78 | HCRTR2 (0.40) | NPC1RAB9AGAASMN1; SMN2TP53 | |
| SCHEMBL12479212 | 0.76 | FDPS (0.45) | HCRTR2PCSK9 | |
| SCHEMBL2970656 | 0.71 | HDAC3 (0.42) | MEN1KMT2AALDH1A1KDM4ETDP1 | |
| SCHEMBL4686905 | 0.70 | NPC1 (0.51) | NPC1RAB9AGAASMN1; SMN2TP53 | |
| SCHEMBL1990188 | 0.68 | KDM4E (0.53) | NPC1RAB9AGAASMN1; SMN2TP53 | |
| SCHEMBL4686908 | 0.68 | NPC1 (0.55) | NPC1RAB9AGAASMN1; SMN2TP53 | |
| SCHEMBL1985103 | 0.68 | NPC1 (0.52) | NPC1RAB9AGAASMN1; SMN2TP53 | |
| SCHEMBL2972716 | 0.68 | CYP1A2 (0.45) | GAASMN1; SMN2ALDH1A1KDM4ETDP1 | |
| SCHEMBL25057028 | 0.67 | NPC1 (0.50) | NPC1RAB9AGAASMN1; SMN2TP53 | |
| SCHEMBL2819999 | 0.67 | PIM3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | disclosed |