Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 9/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | SGMS1 | Q86VZ5 | 1/20 | 0.31 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2786528 | 0.84 | HIF1A (0.36) | SGMS1SGMS2 | |
| SCHEMBL2769040 | 0.83 | HTR4 (0.36) | ALDH1A1LMNAMAPTCYP2C9HTR4 | |
| SCHEMBL2785389 | 0.78 | LMNA (0.38) | ALDH1A1LMNAMAPTCYP2C9HTR4 | |
| SCHEMBL2767552 | 0.73 | KCNA5 (0.36) | MAPTSGMS1SGMS2HCRTR2 | |
| Cyclohexane SCHEMBL2442882 | 0.72 | KCNA5 (0.39) | LMNAMAPTSGMS1SGMS2MEN1 | |
| SCHEMBL2441287 | 0.68 | SMN1; SMN2 (0.43) | SGMS1SGMS2 | |
| SCHEMBL2768798 | 0.67 | KCNA5 (0.45) | HTR4SGMS1SGMS2 | |
| SCHEMBL2439122 | 0.65 | UGCG (0.43) | SGMS2 | |
| SCHEMBL2441155 | 0.65 | UGCG (0.41) | SGMS1SGMS2 | |
| SCHEMBL2771311 | 0.65 | SGMS2 (0.43) | ALDH1A1SGMS1SGMS2 |
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-1881967-B1 | SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS | GRUENENTHAL GMBH (DE) | 2010-04-28 | — | — | EP | claimed |