Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 3/20 | 0.40 |
| ▸ | BCR | P11274 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| SCHEMBL19019921 | 0.87 | PKM (0.48) | ALDH1A1CHRNB2CHRNA4HSD17B10PKM | |
| SCHEMBL19019919 | 0.87 | HIF1A (0.47) | CHRNB2CHRNA4MAPK1HSD17B10PKM | |
| SCHEMBL19019870 | 0.85 | CHRNB2 (0.43) | ALDH1A1CHRNB2CHRNA4MAPK1HSD17B10 | |
| SCHEMBL19061731 | 0.85 | POLB (0.40) | ALDH1A1CHRNB2CHRNA4MAPK1HSD17B10 | |
| SCHEMBL19019922 | 0.85 | MAPK1 (0.50) | ALDH1A1CHRNB2CHRNA4MAPK1HSD17B10 | |
| SCHEMBL19061883 | 0.83 | MEN1 (0.48) | ALDH1A1CHRNB2CHRNA4MAPK1HSD17B10 | |
| SCHEMBL19019834 | 0.83 | PLA2G7 (0.47) | ALDH1A1CHRNB2CHRNA4MAPK1HSD17B10 | |
| SCHEMBL14286352 | 0.83 | OPRK1 (0.48) | CHRNB2CHRNA4MAPK1HSD17B10PKM | |
| SCHEMBL19061740 | 0.82 | NPC1 (0.46) | SCN9AALDH1A1CHRNB2CHRNA4SCN5A | |
| SCHEMBL19061599 | 0.81 | KDM4E (0.53) | ALDH1A1HSD17B10PKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-3184514-A1 | AUTOPHAGY INHIBITORS | Deutsches Krebsforschungszentrum (DE) | 2017-06-28 | — | — | EP | disclosed |