Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 2/20 | 0.41 |
| ▸ | RARA | P10276 | 1/20 | 0.41 |
| ▸ | RARG | P13631 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27959518 | 0.84 | PTGS2 (0.54) | PTGS2CYP3A4NPC1HPGDMAPK1 | |
| SCHEMBL27959363 | 0.84 | GCGR (0.41) | PTGS2CYP3A4NPC1HPGDMAPK1 | |
| SCHEMBL21621119 | 0.83 | ALOX5 (0.43) | PTGS2CYP3A4HTTHTR2ARARB | |
| SCHEMBL18891839 | 0.83 | PTGS2 (0.55) | PTGS2CYP3A4GPR84HTR2ARARB | |
| SCHEMBL8613679 | 0.82 | RARB (0.54) | PTGS2CYP3A4HPGDRAB9AHTR2A | |
| SCHEMBL8885212 | 0.81 | PTGS2 (0.61) | PTGS2CYP3A4NPC1HPGDMAPK1 | |
| SCHEMBL14884242 | 0.81 | PTGS2 (0.50) | PTGS2CYP3A4NPC1HPGDMAPK1 | |
| SCHEMBL8887932 | 0.80 | PTGS2 (0.46) | PTGS2CYP3A4NPC1HPGDMAPK1 | |
| SCHEMBL17759278 | 0.80 | RARB (0.62) | PTGS2CYP3A4HPGDRAB9AHTR2A | |
| SCHEMBL20048041 | 0.79 | PTGS2 (0.53) | PTGS2CYP3A4NPC1HPGDMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20190181348-A1 | BRANCH POINT EFFECT ON STRUCTURE AND ELECTRONIC PROPERTIES OF CONJUGATED POLYMERS | UNIV CALIFORNIA (US) | 2019-06-13 | — | — | US | disclosed |