Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | USP2 | O75604 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | CCR3 | P51677 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1803053 | 0.87 | RIPK1 (0.44) | CYP3A4USP2CYP2D6ALDH1A1CYP2C19 | |
| SCHEMBL2942520 | 0.84 | CYP3A4 (0.58) | CYP3A4USP2MGLLALDH1A1CYP2C19 | |
| SCHEMBL1796900 | 0.84 | CYP3A4 (0.39) | CYP3A4USP2CYP2D6MGLLALDH1A1 | |
| SCHEMBL2934834 | 0.84 | NPC1 (0.48) | USP2ALDH1A1GAATSHR | |
| SCHEMBL2942653 | 0.83 | HPGD (0.42) | ALDH1A1GAATSHRKMT2A | |
| SCHEMBL2941530 | 0.82 | HPGD (0.43) | ALDH1A1SMN1; SMN2MAPK1TSHRKMT2A | |
| SCHEMBL2943001 | 0.81 | MEN1 (0.39) | CYP3A4CYP2D6MGLLCYP2C19GAA | |
| SCHEMBL3997343 | 0.81 | NAMPT (0.42) | CYP3A4USP2CYP2D6MGLLALDH1A1 | |
| SCHEMBL2940005 | 0.81 | MGLL (0.43) | CYP3A4MGLLALDH1A1CYP2C19SMN1; SMN2 | |
| SCHEMBL2943558 | 0.79 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2CYP1A2GAAKMT2A |
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-1730147-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2010-02-03 | — | — | EP | claimed |