Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14865966 | 0.84 | TRPA1 (0.69) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL2600697 | 0.84 | TRPA1 (0.69) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL8622111 | 0.82 | TRPA1 (0.71) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL27488468 | 0.82 | TRPA1 (0.70) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL14222474 | 0.81 | TRPA1 (0.63) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL873142 | 0.79 | TRPA1 (0.61) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL26085426 | 0.79 | TRPA1 (0.61) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL107335 | 0.79 | TRPA1 (0.61) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL26085425 | 0.79 | TRPA1 (0.61) | TRPA1CYP2D6TAAR1SIGMAR1SLC6A2 | |
| SCHEMBL108646 | 0.78 | TRPA1 (0.58) | TRPA1TAAR1SIGMAR1SLC6A2SLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5830875-A | PARASITICIDES | MERCK & CO., INC. (US) | 1998-11-03 | — | — | US | disclosed |
| US-5208222-A | Anthelemetic | MERCK & CO., INC. (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0506331-A1 | 4\"-and 4'-alkylthio-avermectin derivatives | MERCK & CO. INC. (US) | 1992-09-30 | — | — | EP | disclosed |
| EP-0428286-A2 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO. INC. (US) | 1991-05-22 | — | — | EP | disclosed |