Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.46 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15211685 | 0.89 | IDO1 (0.36) | AHRRAPGEF4PPARGPPARDPPARA | |
| SCHEMBL15211695 | 0.84 | UBE2M (0.35) | AHRPPARGPPARDPPARA | |
| SCHEMBL15211872 | 0.84 | NFE2L2 (0.38) | AHRRAPGEF4HTR2ASLC6A4KCNH2 | |
| SCHEMBL256046 | 0.82 | AHR (0.50) | AHRRAPGEF4SLC13A3DDR1NOTUM | |
| SCHEMBL15211460 | 0.79 | CYP1A1 (0.42) | AHR | |
| SCHEMBL2177901 | 0.73 | AHR (0.55) | AHRRAPGEF4SLC13A3NAMPTNOTUM | |
| SCHEMBL16638194 | 0.72 | AHR (0.50) | AHRRAPGEF4NOTUM | |
| SCHEMBL20076864 | 0.71 | AHR (0.61) | AHR | |
| SCHEMBL27856971 | 0.69 | AHR (0.46) | AHRRAPGEF4SLC13A3NOTUM | |
| SCHEMBL16957386 | 0.69 | AHR (0.48) | AHRRAPGEF4SLC13A3NOTUM |
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-2817312-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | Leo Pharma A/S (DK) | 2014-12-31 | — | — | EP | disclosed |
| WO-2013124286-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA A/S (DK) | 2013-08-29 | — | — | WO | disclosed |