Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 5/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | TERT | O14746 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31366067 | 0.86 | NCF1 (0.57) | NCF1ESR1ESR2HTTAPP | |
| SCHEMBL31143623 | 0.78 | CYP1A2 (0.59) | NCF1APPMCHR1TERTALDH1A1 | |
| SCHEMBL8275784 | 0.78 | CYP1A2 (0.59) | NCF1APPMCHR1TERTALDH1A1 | |
| SCHEMBL3221495 | 0.77 | KDM4E (0.58) | NCF1HTTTTRAPPMCHR1 | |
| SCHEMBL1500224 | 0.77 | NCF1 (0.55) | NCF1HTTAPPMCHR1TERT | |
| SCHEMBL14288335 | 0.76 | NCF1 (0.53) | NCF1APPMCHR1TERT | |
| SCHEMBL1645739 | 0.75 | NCF1 (0.49) | NCF1MCHR1TERTALDH1A1 | |
| SCHEMBL1645200 | 0.75 | TDP1 (0.49) | NCF1ESR2MCHR1ALDH1A1 | |
| SCHEMBL30301243 | 0.74 | NCF1 (0.59) | NCF1APPALDH1A1CYP1A2 | |
| SCHEMBL9420844 | 0.74 | NCF1 (0.59) | NCF1APPALDH1A1CYP1A2 |
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-2020063854-A1 | QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS | 南京明德新药研发有限公司 | 2020-04-02 | — | — | WO | disclosed |