Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11233700 | 0.86 | ALDH1A1 (0.40) | CYP1A2L3MBTL1ALDH1A1KDM4ETOP2A | |
| SCHEMBL3987200 | 0.85 | GAA (0.46) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL3209626 | 0.84 | GAA (0.45) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL11239070 | 0.83 | TSHR (0.46) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL13151214 | 0.83 | CYP1A2 (0.42) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL7309740 | 0.83 | GAA (0.52) | CYP1A2GAAMGAMSIMGAM2 | |
| Hydrochloric Acid SCHEMBL10499779 | 0.82 | GAA (0.43) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL2039271 | 0.81 | GAA (0.46) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL11239489 | 0.80 | LMNA (0.43) | ALDH1A1 | |
| SCHEMBL21175294 | 0.79 | GAA (0.41) | CYP1A2GAAMGAMSIMGAM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4315846-A | FUNGICIDES | TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) | 1982-02-16 | — | — | US | disclosed |
| EP-0037861-A1 | Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi | TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) | 1981-10-21 | — | — | EP | disclosed |