Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.36 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7782871 | 0.92 | ALDH1A1 (0.38) | ALDH1A1GAALMNACA12CA1 | |
| SCHEMBL7782879 | 0.85 | APEX1 (0.38) | ALDH1A1GAAMAPTCA12CA1 | |
| SCHEMBL7786310 | 0.83 | GRM5 (0.35) | ALDH1A1GAAKDM4EMEN1KMT2A | |
| SCHEMBL7784924 | 0.83 | MAPT (0.39) | ALDH1A1GAALMNAKCNMA1VCAM1 | |
| SCHEMBL7783639 | 0.81 | VCAM1 (0.39) | ALDH1A1GAALMNAKCNMA1VCAM1 | |
| SCHEMBL7783612 | 0.71 | MAPK1 (0.37) | ALDH1A1GAALMNAKCNMA1MAPT | |
| SCHEMBL7784857 | 0.70 | MEN1 (0.43) | ALDH1A1LMNAVCAM1MAPTCA12 | |
| SCHEMBL8532395 | 0.69 | KDM4E (0.38) | ALDH1A1GAALMNAMAPTKDM4E | |
| SCHEMBL7784737 | 0.69 | MAOA (0.42) | ALDH1A1GAALMNAMAPTNPSR1 | |
| SCHEMBL7786263 | 0.67 | PTGS1 (0.39) | GAALMNAMAPTNPSR1CA9 |
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-0801058-B1 | Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents | AMERICAN CYANAMID CO (US) | 2001-10-10 | — | — | EP | disclosed |