Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 7/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PCSK9 | Q8NBP7 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12479677 | 0.75 | HCRTR2 (0.47) | HCRTR2NPC1RAB9APKMSMN1; SMN2 | |
| SCHEMBL12479214 | 0.73 | HCRTR2 (0.47) | HCRTR2PCSK9 | |
| SCHEMBL4686908 | 0.73 | NPC1 (0.55) | NPC1RAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL5834702 | 0.71 | NPC1 (0.50) | NPC1RAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL1990188 | 0.70 | KDM4E (0.53) | NPC1RAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL18013087 | 0.70 | ELANE (0.63) | NPC1RAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL7527953 | 0.68 | PIM1 (0.48) | — | |
| SCHEMBL5021495 | 0.68 | ELANE (0.67) | NPC1RAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL30583378 | 0.68 | ELANE (0.67) | NPC1RAB9APKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL30583373 | 0.68 | POLB (0.51) | NPC1RAB9APKMSMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | disclosed |