Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 4/20 | 0.59 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.51 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | VNN1 | O95497 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12989210 | 0.90 | CES2 (0.61) | STSCES2CES1KMT2AMEN1 | |
| SCHEMBL12019561 | 0.84 | STS (0.59) | STSCES2CES1KMT2AMEN1 | |
| SCHEMBL2303699 | 0.81 | STS (0.72) | STSCES2CES1KMT2AMEN1 | |
| SCHEMBL4823687 | 0.81 | CES2 (0.77) | STSCES2CES1KMT2AMEN1 | |
| SCHEMBL31414638 | 0.81 | CES2 (0.77) | STSCES2CES1KMT2AMEN1 | |
| SCHEMBL3472780 | 0.81 | STS (0.59) | STSCES2CES1KMT2AMEN1 | |
| SCHEMBL1987981 | 0.80 | HPGD (0.65) | STSCES2CES1KMT2AMEN1 | |
| SCHEMBL755443 | 0.80 | MEN1 (0.69) | STSCES2CES1KMT2AMEN1 | |
| SCHEMBL3298583 | 0.80 | CES2 (0.55) | CES2CES1KMT2AMEN1HPGD | |
| SCHEMBL30414806 | 0.80 | MEN1 (0.69) | STSCES2CES1KMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873330-B1 | DIARYLALKENYLAMINE DERIVATIVES | GLAXOSMITHKLINE SPA (IT) | 2003-05-14 | — | — | EP | disclosed |
| US-6262104-B1 | SELECTIVE DELTA OPIOID AGONISTS AND ANTAGONISTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-07-17 | — | — | US | disclosed |
| CN-1202164-A | Diarylalkenylamine derivatives | SMITHKLINE BEECHAM SPA (IT) | 1998-12-16 | — | — | CN | disclosed |