Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.59 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ITK | Q08881 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | PADI4 | Q9UM07 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2015628 | 0.91 | HCRTR1 (0.57) | HCRTR1HCRTR2RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL2012866 | 0.89 | HCRTR1 (0.59) | HCRTR1HCRTR2RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL2012867 | 0.89 | HCRTR1 (0.59) | HCRTR1HCRTR2RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL2012839 | 0.86 | HCRTR1 (0.59) | HCRTR1HCRTR2RAB9ANPC1ALDH1A1 | |
| SCHEMBL2054164 | 0.84 | HCRTR1 (0.61) | HCRTR1HCRTR2RAB9ANPC1ALDH1A1 | |
| SCHEMBL2011905 | 0.84 | HCRTR1 (0.61) | HCRTR1HCRTR2RAB9ANPC1ALDH1A1 | |
| SCHEMBL2014186 | 0.83 | HCRTR1 (0.60) | HCRTR1HCRTR2RAB9ANPC1DRD2 | |
| SCHEMBL2012754 | 0.83 | HCRTR1 (0.62) | HCRTR1HCRTR2RAB9ANPC1ALDH1A1 | |
| SCHEMBL2015468 | 0.83 | HCRTR1 (0.58) | HCRTR1HCRTR2RAB9ANPC1PADI4 | |
| SCHEMBL2012204 | 0.83 | HCRTR1 (0.58) | HCRTR1HCRTR2RAB9ASMN1; SMN2NPC1 |
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 |