Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 3/20 | 0.59 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | UBE2N | P61088 | 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 | |
|---|---|---|---|---|
| SCHEMBL2052571 | 1.00 | HCRTR1 (0.59) | HCRTR1HCRTR2ALDH1A1HTTNPC1 | |
| SCHEMBL2013176 | 0.91 | HCRTR1 (0.59) | HCRTR1HCRTR2ALDH1A1HTTNPC1 | |
| SCHEMBL2013226 | 0.91 | HCRTR1 (0.59) | HCRTR1HCRTR2ALDH1A1HTTNPC1 | |
| SCHEMBL2011290 | 0.89 | HCRTR1 (0.59) | HCRTR1HCRTR2ALDH1A1NPC1RAB9A | |
| SCHEMBL2011288 | 0.89 | HCRTR1 (0.59) | HCRTR1HCRTR2ALDH1A1NPC1RAB9A | |
| SCHEMBL2054308 | 0.87 | HCRTR1 (0.60) | HCRTR1HCRTR2ALDH1A1NPC1RAB9A | |
| SCHEMBL2011844 | 0.87 | HCRTR1 (0.60) | HCRTR1HCRTR2ALDH1A1NPC1RAB9A | |
| SCHEMBL2054318 | 0.87 | HCRTR1 (0.58) | HCRTR1HCRTR2ALDH1A1HTTNPC1 | |
| SCHEMBL2011240 | 0.87 | HCRTR1 (0.58) | HCRTR1HCRTR2ALDH1A1HTTNPC1 | |
| SCHEMBL2011910 | 0.87 | HCRTR1 (0.69) | HCRTR1HCRTR2ALDH1A1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011073316-A1 | 4-ARYL-BUTANE-1,3-DIAMIDES | NOVARTIS AG (CH) | 2011-06-23 | — | — | WO | claimed |
| WO-2011073316-A1 | 4-ARYL-BUTANE-1,3-DIAMIDES | NOVARTIS AG (CH) | 2011-06-23 | — | — | WO | disclosed |