Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MGLL | Q99685 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | STS | P08842 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL18785460 | 0.87 | MGLL (0.58) | CYP2D6ALDH1A1MGLLCYP3A4TSHR | |
| SCHEMBL8210703 | 0.82 | KMT2A (0.55) | ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL27045311 | 0.82 | USP2 (0.52) | ALDH1A1TSHROPRD1OPRK1MEN1 | |
| SCHEMBL17324842 | 0.81 | MGLL (0.70) | CYP2D6ALDH1A1MGLLCYP3A4TSHR | |
| SCHEMBL17609058 | 0.81 | CYP2D6 (0.46) | CYP2D6ALDH1A1MGLLCYP3A4TSHR | |
| SCHEMBL13115666 | 0.80 | MGLL (0.57) | CYP2D6ALDH1A1MGLLCYP3A4TSHR | |
| SCHEMBL19706413 | 0.80 | HPGD (0.49) | ALDH1A1TSHROPRD1OPRK1MEN1 | |
| SCHEMBL17608910 | 0.79 | CYP2D6 (0.47) | CYP2D6ALDH1A1MGLLCYP3A4TSHR | |
| SCHEMBL18785450 | 0.79 | CYP2D6 (0.48) | CYP2D6ALDH1A1MGLLCYP3A4TSHR | |
| SCHEMBL17608925 | 0.79 | CHRM2 (0.60) | CYP2D6MGLL |
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 |
|---|---|---|---|---|---|---|---|
| EP-3149005-B1 | AMIDE DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE LABOR DR (ES) | 2018-04-18 | — | — | EP | disclosed |