Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | PLK1 | P53350 | 5/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | PLK3 | Q9H4B4 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Tetrahexylammonium SCHEMBL9460117 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRPLK1PTPN11CES2 | |
| SCHEMBL9460416 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRPLK1PTPN11CES2 | |
| SCHEMBL9459972 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRPLK1PTPN11CES2 | |
| SCHEMBL9460188 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRPLK1PTPN11CES2 | |
| SCHEMBL9460050 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRPLK1PTPN11CES2 | |
| SCHEMBL9460646 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRPLK1PTPN11CES2 | |
| SCHEMBL9460472 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRPLK1PTPN11CES2 | |
| SCHEMBL9460719 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRPLK1PTPN11CES2 | |
| Tetrahexylammonium SCHEMBL9460090 | 1.00 | ALDH1A1 (0.43) | ALDH1A1TSHRPLK1PTPN11CES2 | |
| Tetrapentylammonium SCHEMBL9460464 | 0.99 | TSHR (0.42) | ALDH1A1TSHRPLK1PTPN11CES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5274184-A | Aryl sulphide, aryl sulphoxide and aryl sulphone compounds | CASSELLA AKTIENGESELLSCHAFT (DE) | 1993-12-28 | — | — | US | disclosed |