Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | TACR2 | P21452 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21118429 | 0.80 | PTGS2 (0.52) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL8885212 | 0.74 | PTGS2 (0.61) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL27959518 | 0.74 | PTGS2 (0.54) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL18891839 | 0.72 | PTGS2 (0.55) | PTGS2CYP3A4GPR84RARBRARA | |
| SCHEMBL25343238 | 0.72 | PTGS2 (0.49) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL14884242 | 0.71 | PTGS2 (0.50) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL9244420 | 0.70 | LIPG (0.50) | PTGS2CYP3A4GPR84RARBRARA | |
| SCHEMBL23891710 | 0.69 | PTGS2 (0.48) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL20048041 | 0.69 | PTGS2 (0.53) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL9243477 | 0.69 | RARB (0.54) | PTGS2CYP3A4GPR84RARBRARA |
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-5679282-A | Chiral 2,6-difluorobenzene derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-10-21 | — | — | US | disclosed |