Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27987952 | 0.76 | OPRM1 (0.37) | OPRM1NPC1SLC6A2SLC6A4SLC22A1 | |
| Tert-Butyl Formate SCHEMBL28055531 | 0.75 | OPRM1 (0.32) | OPRM1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10188802 | 0.70 | OPRK1 (0.36) | OPRM1NPC1SLC6A2SLC6A4HTR2C | |
| SCHEMBL9950367 | 0.70 | OPRK1 (0.36) | OPRM1NPC1SLC6A2SLC6A4HTR2C | |
| SCHEMBL10188807 | 0.69 | NPC1 (0.35) | OPRM1NPC1SLC6A2SLC6A4HTR2C | |
| SCHEMBL9950559 | 0.69 | NPC1 (0.35) | OPRM1NPC1SLC6A2SLC6A4HTR2C | |
| SCHEMBL27759652 | 0.68 | GBA1 (0.49) | NPC1HTR2CADRA1AKCNH2 | |
| SCHEMBL27748184 | 0.65 | TACR1 (0.52) | OPRM1SLC6A4KCNH2 | |
| SCHEMBL27846025 | 0.65 | ELANE (0.41) | OPRM1NPC1OPRD1OPRK1 | |
| SCHEMBL28300232 | 0.62 | SYK (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104185635-B | Pyrrolidine thiazine compounds | ELI LILLY AND CO. (US) | 2016-03-09 | — | — | CN | disclosed |