Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.40 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 3/20 | 0.35 |
| ▸ | F3 | P13726 | 3/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16902073 | 0.86 | ALDH1A1 (0.51) | LPAR3LPAR2LPAR1NR1I2PTGS2 | |
| SCHEMBL16902072 | 0.86 | LPAR2 (0.34) | LPAR3LPAR2LPAR1ALDH1A1CYP19A1 | |
| SCHEMBL16902064 | 0.86 | LPAR2 (0.34) | LPAR3LPAR2LPAR1ALDH1A1CYP19A1 | |
| SCHEMBL28798179 | 0.81 | ALDH1A1 (0.44) | LPAR3LPAR2LPAR1ALDH1A1CNR1 | |
| SCHEMBL26001345 | 0.80 | LPAR2 (0.47) | LPAR3LPAR2LPAR1NR1I2PTGS2 | |
| SCHEMBL13864278 | 0.80 | ALDH1A1 (0.33) | ALDH1A1CNR1CNR2 | |
| SCHEMBL11856333 | 0.78 | ALDH1A1 (0.56) | LPAR3LPAR2LPAR1ALDH1A1CNR1 | |
| SCHEMBL16902067 | 0.78 | ALDH1A1 (0.56) | LPAR3LPAR2LPAR1ALDH1A1CNR1 | |
| SCHEMBL18134817 | 0.78 | ALDH1A1 (0.56) | LPAR3LPAR2LPAR1ALDH1A1CNR1 | |
| SCHEMBL11856338 | 0.78 | ALDH1A1 (0.56) | LPAR3LPAR2LPAR1ALDH1A1CNR1 |
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-8951998-B2 | Quinoxaline-containing compounds as hepatitis C virus inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2015-02-10 | — | — | US | disclosed |