Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20627220 | 0.86 | DRD2 (0.56) | HTR1AOPRK1KCNH2DRD2KDM4E | |
| SCHEMBL9911041 | 0.83 | HTR1A (0.49) | HTR1AOPRK1ADRB2ADRB1NPC1 | |
| SCHEMBL17969095 | 0.80 | NPC1 (0.47) | HTR1AOPRK1ADRB2ADRB1NPC1 | |
| SCHEMBL19386411 | 0.78 | HTR1A (0.45) | HTR1AOPRK1ADRB2ADRB1NPC1 | |
| SCHEMBL427050 | 0.76 | NPC1 (0.43) | HTR1AOPRK1ADRB2ADRB1NPC1 | |
| SCHEMBL12285526 | 0.76 | GABRA1 (0.44) | HTR2AHTR2BGABRA1GABRB2 | |
| SCHEMBL12546146 | 0.76 | NPC1 (0.46) | HTR1AOPRK1ADRB2ADRB1NPC1 | |
| SCHEMBL426989 | 0.75 | NPC1 (0.42) | HTR1AOPRK1ADRB2ADRB1NPC1 | |
| SCHEMBL12020822 | 0.74 | DRD2 (0.46) | HTR1AOPRK1ADRB2ADRB1NPC1 | |
| SCHEMBL19772860 | 0.73 | GABRA1 (0.42) | HTR1ADRD2HTR2AHTR2BGABRA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3224252-B1 | SUBSTITUTED OXAZOLE- AND THIAZOLE-BASED CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS II | MEDIFRON DBT INC (KR) | 2019-01-09 | — | — | EP | disclosed |