Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL11054888 | 1.00 | CYP2C9 (0.41) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL1758445 | 0.87 | CYP2C9 (0.53) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL1758444 | 0.87 | CYP2C9 (0.53) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL21648660 | 0.86 | GAA (0.45) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL175353 | 0.84 | CYP2C9 (0.53) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL175352 | 0.84 | CYP2C9 (0.53) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL30132730 | 0.82 | ALDH1A1 (0.44) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL14369246 | 0.82 | CHAT (0.47) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL12620532 | 0.82 | CHAT (0.47) | CYP2C9CYP3A4CYP2D6GAAKDM4E | |
| SCHEMBL10764146 | 0.80 | DPP4 (0.37) | CYP2C9CYP3A4CYP2D6GAAKDM4E |
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-4459185-A | SURFACTANT, LEVELING AGENTS | OBATA, DONI, DAIWA, FINE CHEMICALS CO., LTD. (JP) | 1984-07-10 | — | — | US | disclosed |