Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | TYMS | P04818 | 3/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 3/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | PRKACG | P22612 | 1/20 | 0.38 |
| ▸ | PRKACB | P22694 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30167783 | 0.85 | NAMPT (0.44) | NAMPTTYMSCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28148757 | 0.85 | NAMPT (0.44) | NAMPTTYMSCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27540773 | 0.84 | EPHX2 (0.41) | CYP2D6CYP2C9CYP2C19L3MBTL1KMT2A | |
| Hydrochloric Acid SCHEMBL28844174 | 0.82 | EPHX2 (0.40) | CYP2D6CYP2C9CYP2C19L3MBTL1KMT2A | |
| Bromide SCHEMBL28875349 | 0.82 | EPHX2 (0.40) | CYP2D6CYP2C9CYP2C19L3MBTL1KMT2A | |
| SCHEMBL28844956 | 0.81 | NAMPT (0.40) | HTR6NAMPTTYMSPSEN1PSEN2 | |
| SCHEMBL30167580 | 0.81 | NAMPT (0.40) | HTR6NAMPTTYMSPSEN1PSEN2 | |
| SCHEMBL28641047 | 0.79 | EPHX2 (0.37) | CYP2D6CYP2C9CYP2C19L3MBTL1KMT2A | |
| SCHEMBL28149958 | 0.77 | TYMS (0.41) | HTR6NAMPTTYMSSRCPRKACA | |
| SCHEMBL27542961 | 0.77 | EPHX2 (0.36) | CYP2D6CYP2C9CYP2C19L3MBTL1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-103384668-B | compounds and compositions for inhibition of NAMPT | 福马TM有限责任公司 | 2017-05-31 | — | — | CN | claimed |