Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.48 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1912768 | 0.91 | TSHR (0.49) | PTGS2DGAT1PTGS1TSHRNR1H3 | |
| SCHEMBL11622203 | 0.89 | PTGS2 (0.51) | PTGS2DGAT1PTGS1NR1H3HSD11B1 | |
| SCHEMBL24185707 | 0.85 | DGAT1 (0.52) | PTGS2DGAT1PTGS1NR1H3NR1H2 | |
| SCHEMBL7469586 | 0.80 | PTGS2 (0.46) | PTGS2PTGS1NR1H3RAB9ASMN1; SMN2 | |
| SCHEMBL7480252 | 0.79 | PTGS2 (0.54) | PTGS2PTGS1NR1H3HSD11B1NPC1 | |
| SCHEMBL24185637 | 0.77 | DGAT1 (0.47) | PTGS2DGAT1PTGS1TLR8ADORA2B | |
| SCHEMBL25792141 | 0.74 | DGAT1 (0.43) | PTGS2DGAT1PTGS1NPC1RAB9A | |
| SCHEMBL24185774 | 0.74 | DGAT1 (0.49) | PTGS2DGAT1PTGS1NR1H3NR1H2 | |
| SCHEMBL25791923 | 0.74 | DGAT1 (0.43) | PTGS2DGAT1PTGS1TLR8 | |
| SCHEMBL4882528 | 0.72 | TLR8 (0.43) | NR1H3NR1H2PDE10ATLR8 |
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 |
|---|---|---|---|---|---|---|---|
| US-4125530-A | FROM 1,1-DIHALO-3,3,3-TRIFLUOROACETONE, BASE, AMMONIA AND A CARBOXALDEHYDE | MERCK & CO., INC. (US) | 1978-11-14 | — | — | US | disclosed |
| US-4032522-A | ANTI-GOUT, ANTI-HYPERURICEMIC | MERCK & CO., INC. (US) | 1977-06-28 | — | — | US | disclosed |