Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16612775 | 0.78 | MAOB (0.41) | MAOBNPC1RAB9ATSHRHPGD | |
| SCHEMBL16612857 | 0.76 | MTNR1A (0.44) | DRD2DRD3NPC1RAB9ATSHR | |
| SCHEMBL16612828 | 0.76 | SIRT2 (0.39) | DRD2MAOBKMT2AHCRTR2SMN1; SMN2 | |
| SCHEMBL16613032 | 0.75 | HCRTR2 (0.44) | CYP1A2HCRTR2POLB | |
| SCHEMBL12479530 | 0.70 | MAOB (0.50) | DRD2DRD3MAOBNPC1RAB9A | |
| SCHEMBL16612990 | 0.70 | HCRTR2 (0.39) | HCRTR2ALDH1A1 | |
| SCHEMBL107322 | 0.69 | MAOB (0.83) | MAOBNPC1RAB9AFKBP1ATSHR | |
| SCHEMBL28851447 | 0.69 | FKBP1A (0.62) | MAOBNPC1RAB9AFKBP1ATSHR | |
| SCHEMBL16612712 | 0.68 | HCRTR2 (0.38) | CYP1A2CYP3A4TDP1HCRTR2POLB | |
| SCHEMBL108114 | 0.68 | MAOB (0.74) | MAOBNPC1RAB9AFKBP1ATSHR |
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 |