Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL980704 | 1.00 | HTR1A (0.40) | HTR1ACYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL31080781 | 0.88 | ALDH1A1 (0.47) | CYP3A4CYP1A2TSHRALDH1A1MEN1 | |
| SCHEMBL947664 | 0.88 | KDM4E (0.40) | HTR1ACYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL18045349 | 0.87 | KMT2A (0.40) | HTR1ACYP2D6ALDH1A1KMT2ACHRM2 | |
| SCHEMBL18045301 | 0.87 | KMT2A (0.40) | HTR1ACYP2D6ALDH1A1KMT2ACHRM2 | |
| SCHEMBL13624814 | 0.84 | RAB9A (0.36) | HTR1ACYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL10126869 | 0.84 | RAB9A (0.36) | HTR1ACYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL12018913 | 0.84 | RAB9A (0.36) | HTR1ACYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL12018912 | 0.83 | OPRD1 (0.37) | HTR1ACYP3A4HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL10126868 | 0.83 | OPRD1 (0.37) | HTR1ACYP3A4HSD17B10CYP1A2CYP2D6 |
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-2448935-A1 | SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS | Novartis AG (CH) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011000905-A1 | SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS | NOVARTIS AG (CH) | 2011-01-06 | — | — | WO | disclosed |