Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 3/20 | 0.34 |
| ▸ | AKT1 | P31749 | 3/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17072191 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP2C9CYP2C19PPARAAKT1 | |
| SCHEMBL17072190 | 1.00 | CYP3A4 (0.35) | CYP3A4CYP2C9CYP2C19PPARAAKT1 | |
| SCHEMBL17072195 | 0.91 | NFKB1 (0.39) | PPARAAKT1PPARGNPC1RAB9A | |
| SCHEMBL17072193 | 0.91 | NFKB1 (0.39) | PPARAAKT1PPARGNPC1RAB9A | |
| SCHEMBL17072194 | 0.91 | NFKB1 (0.39) | PPARAAKT1PPARGNPC1RAB9A | |
| SCHEMBL17072206 | 0.83 | AKT1 (0.35) | CYP3A4CYP2C9CYP2C19PPARAAKT1 | |
| SCHEMBL17072205 | 0.83 | AKT1 (0.35) | CYP3A4CYP2C9CYP2C19PPARAAKT1 | |
| SCHEMBL17072207 | 0.83 | AKT1 (0.35) | CYP3A4CYP2C9CYP2C19PPARAAKT1 | |
| SCHEMBL16865339 | 0.83 | PPARA (0.37) | CYP3A4CYP2C9CYP2C19PPARANPC1 | |
| SCHEMBL16859610 | 0.79 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19PPARANPC1 |
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-9133488-B2 | Synthetic methods and compounds related thereto | UNIVERSITY OF ALASKA FAIRBANKS (US) | 2015-09-15 | — | — | US | disclosed |