Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | MME | P08473 | 2/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PAM | P19021 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL8634325 | 0.82 | AKR1B1 (0.62) | CYP3A4CYP2C9AKR1B1HSPA5 | |
| SCHEMBL27701269 | 0.81 | AKR1B1 (0.60) | CYP3A4CYP2C9AKR1B1KDM4EHSPA5 | |
| SCHEMBL29145006 | 0.81 | MEN1 (0.59) | CYP3A4CYP2C9AKR1B1RECQLKDM4E | |
| SCHEMBL58024 | 0.78 | CYP3A4 (1.00) | CYP3A4CYP2C9AKR1B1RECQLMME | |
| SCHEMBL58023 | 0.78 | CYP3A4 (1.00) | CYP3A4CYP2C9AKR1B1RECQLMME | |
| SCHEMBL9744932 | 0.77 | AKR1B1 (0.44) | CYP3A4CYP2C9AKR1B1RECQLMME | |
| SCHEMBL28021034 | 0.77 | AKR1B1 (0.55) | CYP3A4CYP2C9AKR1B1KDM4EHSPA5 | |
| SCHEMBL2957009 | 0.77 | CYP3A4 (0.96) | CYP3A4CYP2C9AKR1B1RECQLMME | |
| SCHEMBL166780 | 0.76 | RECQL (0.72) | CYP3A4CYP2C9RECQLMMEAKR1C3 | |
| SCHEMBL27158696 | 0.76 | RECQL (0.72) | CYP3A4CYP2C9RECQLMMEAKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012054515-A2 | ALKOXYALKYLAMIDE COMPOUNDS, METHODS OF MAKING SAME, AND COSMETIC COMPOSITIONS CONTAINING SAME | REVLON CONSUMER PRODUCTS CORPORATION (US) | 2012-04-26 | — | — | WO | disclosed |