Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16612828 | 0.86 | SIRT2 (0.39) | DRD2KMT2ALMNAPARP1SMN1; SMN2 | |
| SCHEMBL16612943 | 0.84 | SIGMAR1 (0.47) | MTNR1AMTNR1BPARP1HRH3 | |
| SCHEMBL16612866 | 0.78 | HCRTR2 (0.41) | KDM4EMAPK10 | |
| SCHEMBL16612712 | 0.78 | HCRTR2 (0.38) | ALDH1A1LMNAGAASMN1; SMN2TDP1 | |
| SCHEMBL16612782 | 0.77 | HCRTR2 (0.39) | PARP1HTR1A | |
| SCHEMBL16612880 | 0.76 | DRD2 (0.45) | DRD2DRD3KDM4EALDH1A1KMT2A | |
| SCHEMBL16613032 | 0.76 | HCRTR2 (0.44) | — | |
| SCHEMBL16612856 | 0.75 | MTNR1A (0.54) | MTNR1AMTNR1BKDM4EALDH1A1MAPK10 | |
| SCHEMBL16612990 | 0.74 | HCRTR2 (0.39) | ALDH1A1PKM | |
| SCHEMBL16612868 | 0.74 | MTNR1A (0.49) | MTNR1AMTNR1BALDH1A1LMNANPC1 |
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 | claimed |