Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 3/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.37 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.37 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 1/20 | 0.34 |
| ▸ | FNTB | P49356 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28060541 | 0.80 | NAMPT (0.35) | NAMPT | |
| SCHEMBL27649779 | 0.79 | AKR1C3 (0.35) | — | |
| SCHEMBL27736408 | 0.79 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL27799395 | 0.79 | ALDH1A1 (0.38) | ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL20965483 | 0.78 | NAMPT (0.51) | NAMPTCNR2DDB1CRBNTPSAB1 | |
| SCHEMBL27844685 | 0.78 | DRD2 (0.38) | — | |
| SCHEMBL27838575 | 0.77 | HPGD (0.47) | TP53ALDH1A1HSD11B1 | |
| SCHEMBL28785797 | 0.76 | KDM4E (0.38) | ALDH1A1KDM4E | |
| SCHEMBL27941684 | 0.76 | TSHR (0.33) | NAMPTDDB1CRBNALDH1A1HSD17B10 | |
| SCHEMBL28007510 | 0.75 | ENO1 (0.31) | KDM4E |
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-105399698-A | Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines | GUANGDONG HEC PHARMACEUTICAL | 2016-03-16 | — | — | CN | disclosed |