Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.35 |
| ▸ | RPA1 | P27694 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 2/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.32 |
| ▸ | KDM4A | O75164 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3425640 | 0.71 | NAAA (0.33) | SMN1; SMN2ALDH1A1KDM4ERAB9AHPGD | |
| SCHEMBL2511500 | 0.67 | — | — | |
| SCHEMBL8539984 | 0.65 | — | — | |
| SCHEMBL25321440 | 0.65 | CCR2 (0.40) | SMN1; SMN2S1PR1S1PR5ALDH1A1KDM4E | |
| SCHEMBL25321446 | 0.65 | CCR2 (0.40) | SMN1; SMN2S1PR1S1PR5ALDH1A1KDM4E | |
| SCHEMBL21767869 | 0.60 | NAMPT (0.41) | SMN1; SMN2S1PR1S1PR5ALDH1A1KDM4E | |
| Acetic Acid SCHEMBL15333210 | 0.60 | SMN1; SMN2 (0.55) | SMN1; SMN2S1PR1S1PR5ALDH1A1KDM4E | |
| SCHEMBL13258567 | 0.59 | NISCH (0.36) | SMN1; SMN2ALDH1A1KDM4ERAB9AKDM5A | |
| P-Xylene SCHEMBL14721484 | 0.59 | ALDH1A1 (0.67) | SMN1; SMN2ALDH1A1GAARAB9AHPGD | |
| P-Xylene SCHEMBL27538150 | 0.59 | ALDH1A1 (0.67) | SMN1; SMN2ALDH1A1GAARAB9AHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2334643-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | Actelion Pharmaceuticals Ltd. (CH) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | disclosed |