Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.35 |
| ▸ | GRK6 | P43250 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27787507 | 0.87 | KMO (0.47) | KMOAKR1C3AKR1C2KDM4CDUSP3 | |
| SCHEMBL27809418 | 0.84 | KIF11 (0.46) | — | |
| SCHEMBL27809428 | 0.82 | MAPK14 (0.49) | KMT2A | |
| SCHEMBL27809437 | 0.78 | KMO (0.48) | KMOAKR1C3AKR1C2 | |
| SCHEMBL4658590 | 0.77 | PIN1 (0.48) | KMODUSP3 | |
| SCHEMBL4398019 | 0.77 | ALDH1A1 (0.45) | DUSP3MAPTKDM4ELMNAHSD17B10 | |
| SCHEMBL4075531 | 0.76 | PTPN1 (0.47) | DUSP3MAPTKDM4ELMNAALDH1A1 | |
| SCHEMBL3228354 | 0.76 | ALDH1A1 (0.39) | MAPTKDM4EHSD17B10MEN1USP2 | |
| SCHEMBL27809403 | 0.75 | CYP2C8 (0.46) | AKR1C3AKR1C2SLC22A12LMNACES2 | |
| SCHEMBL4081921 | 0.75 | KMO (0.43) | KMOAKR1C3AKR1C2IDO1KDM5A |
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-2012103113-A1 | PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C | GILEAD PHARMASSET, LLC (US) | 2012-08-02 | — | — | WO | disclosed |