Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CTPS1 | P17812 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14934221 | 0.82 | GAA (0.40) | GAAALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL14934264 | 0.79 | PARP1 (0.52) | PARP1GAAALDH1A1MEN1KMT2A | |
| SCHEMBL27901147 | 0.73 | PARP1 (0.52) | PARP1GAAALDH1A1MEN1KMT2A | |
| SCHEMBL3181806 | 0.72 | PARP1 (0.70) | PARP1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL10954211 | 0.71 | PARP1 (0.74) | PARP1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL27918760 | 0.71 | PARP1 (0.52) | PARP1GAAALDH1A1MEN1KMT2A | |
| SCHEMBL8629267 | 0.70 | PARP1 (0.72) | PARP1GAAALDH1A1MAPTLMNA | |
| SCHEMBL1766442 | 0.70 | PARP1 (0.72) | PARP1LMNA | |
| SCHEMBL30995722 | 0.70 | PARP1 (0.72) | PARP1LMNA | |
| SCHEMBL16956868 | 0.70 | PARP1 (0.67) | PARP1MEN1KMT2AMAPTLMNA |
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-2013064029-A1 | BENZOYLUREA DERIVATIVE WITH ANTICANCER ACTIVITY AND PREPARATION METHOD AND USE THEREOF | 浙江海正药业股份有限公司 (CN) | 2013-05-10 | — | — | WO | disclosed |