Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 8/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | HTR2A | P28223 | 4/20 | 0.37 |
| ▸ | HRH1 | P35367 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | KLF10 | Q13118 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL21280529 | 0.83 | CA2 (0.37) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12091397 | 0.79 | SLC6A4 (0.36) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28068738 | 0.78 | SLC6A4 (0.39) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| Iodide SCHEMBL8038400 | 0.77 | HIF1A (0.50) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9524292 | 0.77 | SLC6A4 (0.36) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7151617 | 0.77 | TAAR1 (0.47) | SLC6A4SLC6A2HTR2AHRH1SLC6A3 | |
| SCHEMBL9626551 | 0.77 | TAAR1 (0.47) | SLC6A4SLC6A2HTR2AHRH1SLC6A3 | |
| SCHEMBL5500512 | 0.75 | CA2 (0.41) | SLC6A4HTR2AHRH1 | |
| SCHEMBL28942489 | 0.74 | SLC6A4 (0.38) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13881081 | 0.73 | SLC6A4 (0.33) | SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0428286-B1 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO INC (US) | 2000-04-05 | — | — | EP | disclosed |
| 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 |