Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 11/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 8/20 | 0.42 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3647052 | 0.94 | MRGPRX1 (0.42) | HCRTR1HCRTR2MRGPRX1MAOBBRD4 | |
| SCHEMBL3644110 | 0.81 | HPGD (0.44) | HCRTR1HCRTR2MRGPRX1MAOBLMNA | |
| SCHEMBL3649811 | 0.81 | HCRTR1 (0.42) | HCRTR1HCRTR2MRGPRX1MAOBNPC1 | |
| SCHEMBL3644111 | 0.81 | HCRTR1 (0.44) | HCRTR1HCRTR2MRGPRX1NPC1 | |
| SCHEMBL3640648 | 0.78 | MAOB (0.48) | HCRTR1HCRTR2MRGPRX1MAOBNPC1 | |
| SCHEMBL3647326 | 0.78 | HPGD (0.44) | HCRTR1HCRTR2MRGPRX1MAOB | |
| SCHEMBL3641406 | 0.77 | MRGPRX1 (0.46) | HCRTR1HCRTR2MRGPRX1MAOBBRD4 | |
| SCHEMBL3641411 | 0.77 | MRGPRX1 (0.46) | HCRTR1HCRTR2MRGPRX1BRD4 | |
| SCHEMBL3647214 | 0.76 | MAOB (0.41) | HCRTR1HCRTR2MRGPRX1MAOB | |
| SCHEMBL3648051 | 0.76 | MAOB (0.41) | HCRTR1HCRTR2MRGPRX1MAOBLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2188282-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009022311-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-19 | — | — | WO | disclosed |