Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PCSK7 | Q16549 | 2/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5103338 | 0.91 | NQO1 (0.52) | NQO1CYP2C9ALDH1A1CA12CA9 | |
| SCHEMBL9286035 | 0.83 | NQO1 (0.53) | NQO1CYP2C9ALDH1A1CA12CA9 | |
| SCHEMBL7351830 | 0.82 | ALDH1A1 (0.50) | NQO1CYP2C9ALDH1A1CA12CA9 | |
| SCHEMBL9214360 | 0.79 | NQO1 (0.52) | NQO1CYP2C9ALDH1A1KDM4ELMNA | |
| SCHEMBL7354341 | 0.78 | KDM4E (0.55) | NQO1CYP2C9ALDH1A1CA12CA9 | |
| SCHEMBL3778823 | 0.76 | ALDH1A1 (0.51) | NQO1CYP2C9ALDH1A1CA12CA9 | |
| SCHEMBL15514111 | 0.76 | ALDH1A1 (0.51) | NQO1CYP2C9ALDH1A1CA12CA9 | |
| SCHEMBL12747979 | 0.74 | KDM4E (0.62) | NQO1CYP2C9ALDH1A1CA12CA9 | |
| SCHEMBL12091846 | 0.72 | CA12 (0.49) | NQO1CYP2C9ALDH1A1CA12CA9 | |
| SCHEMBL2358729 | 0.72 | LMNA (0.48) | NQO1CYP2C9ALDH1A1CA12CA9 |
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-7932405-B2 | Halogenated ester derivatives of coumarins for the treatment of coagulation disorders | ARYX THERAPEUTICS, INC. (US) | 2011-04-26 | — | — | US | disclosed |