Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.50 |
| ▸ | NQO1 | P15559 | 2/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Coumetarol SCHEMBL308833 | 0.81 | NQO1 (0.68) | CYP2C9NQO1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL1651720 | 0.80 | CYP2C9 (0.68) | CYP2C9NQO1KDM4ECYP3A4ALDH1A1 | |
| SCHEMBL414250 | 0.80 | CYP2C9 (0.68) | CYP2C9NQO1KDM4ECYP3A4ALDH1A1 | |
| SCHEMBL1649800 | 0.79 | MAOA (0.52) | CYP2C9NQO1MAOAKDM4ECYP3A4 | |
| SCHEMBL136434 | 0.77 | CYP2C9 (0.73) | CYP2C9KDM4ECYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL20806 | 0.77 | CYP2C9 (0.73) | CYP2C9KDM4ECYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL1479347 | 0.77 | CYP2C9 (0.73) | CYP2C9KDM4ECYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL1650108 | 0.75 | ADORA3 (0.68) | CYP2C9NQO1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL18465488 | 0.73 | NQO1 (0.51) | CYP2C9NQO1KDM4EALDH1A1MEN1 | |
| SCHEMBL513899 | 0.73 | CYP2C9 (0.55) | CYP2C9NQO1KDM4EALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |