Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.44 |
| ▸ | SCN1A | P35498 | 3/20 | 0.44 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.44 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1492488 | 0.75 | RECQL (0.38) | CYP3A4ALDH1A1CYP1A2CYP2C19RECQL | |
| SCHEMBL28206790 | 0.72 | MYC (0.36) | CYP1A2SMN1; SMN2TSHRTDP1NFKB1 | |
| SCHEMBL115915 | 0.70 | RECQL (0.40) | CYP3A4ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL23881621 | 0.70 | ELANE (0.40) | — | |
| SCHEMBL3766087 | 0.69 | RECQL (0.36) | CYP3A4CYP1A2CYP2C19RECQLCA12 | |
| SCHEMBL534942 | 0.68 | RECQL (0.59) | CYP3A4ALDH1A1CYP1A2CYP2C19CYP2C9 | |
| Lithium Ion SCHEMBL15647688 | 0.67 | PKLR (0.30) | — | |
| SCHEMBL8301266 | 0.64 | MYC (0.40) | ALDH1A1CYP1A2CYP2C9KDM4ERECQL | |
| SCHEMBL534803 | 0.64 | TDP1 (0.38) | ALDH1A1RECQLLMNACA12CA9 | |
| SCHEMBL8813824 | 0.64 | CYP3A4 (0.67) | CYP3A4ALDH1A1CYP1A2CYP2C19CYP2C9 |
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-2414108-A2 | METHOD FOR MODIFYING THE SURFACE ENERGY OF A SOLID | Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010112610-A2 | METHOD FOR MODIFYING THE SURFACE ENERGY OF A SOLID | Commissariat à l'énergie atomique et aux énergies alternatives (FR) | 2010-10-07 | — | — | WO | disclosed |