Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | HTR1A | P08908 | 3/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | HTR1D | P28221 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.46 |
| ▸ | WNT3A | P56704 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HTR4 | Q13639 | 4/20 | 0.44 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3645550 | 0.88 | SLC6A5 (0.45) | KDM4EHTR1ADRD4HTR1DADRA1A | |
| SCHEMBL3640572 | 0.86 | HTR1A (0.62) | HTR1ADRD4HTR1DADRA1AHTR2B | |
| SCHEMBL3648438 | 0.79 | NPC1 (0.52) | KDM4ELMNAALDH1A1NPC1HTT | |
| SCHEMBL3643978 | 0.79 | HTR4 (0.59) | HTR4 | |
| SCHEMBL3645876 | 0.78 | HTR4 (0.47) | KDM4ELMNAALDH1A1NPC1HTT | |
| SCHEMBL3645880 | 0.78 | HTR4 (0.52) | CTNNB1WNT3AHTR4MTNR1A | |
| SCHEMBL3643922 | 0.78 | HTR4 (0.47) | CTNNB1WNT3AHTR4MTNR1A | |
| SCHEMBL3641335 | 0.77 | NPC1 (0.50) | LMNAALDH1A1NPC1HTTCTNNB1 | |
| SCHEMBL3641731 | 0.77 | HTR4 (0.47) | CTNNB1WNT3AHTR4MTNR1A | |
| SCHEMBL15778879 | 0.77 | ALDH1A1 (0.48) | LMNAALDH1A1NPC1HTTCTNNB1 |
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 5 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 | claimed |
| WO-2009022311-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-19 | — | — | WO | claimed |
| EP-2188282-B1 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-01-23 | — | — | EP | disclosed |
| 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 |