Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 4/20 | 0.44 |
| ▸ | PLA2G10 | O15496 | 3/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 2/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SLCO1B1 | Q9Y6L6 | 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 | |
|---|---|---|---|---|
| SCHEMBL28576659 | 0.80 | TSHR (0.48) | KDM4EHPGDTSHRHSD17B10MEN1 | |
| SCHEMBL6203169 | 0.80 | PARP1 (0.49) | NPC1RAB9APARP1TSHRMAPT | |
| SCHEMBL28681774 | 0.78 | PLA2G2A (0.57) | PLA2G2APLA2G10PARP1KDM4EHPGD | |
| SCHEMBL28193149 | 0.78 | PLA2G2A (0.49) | PLA2G2APLA2G10PARP1TSHRSIRT2 | |
| SCHEMBL30732577 | 0.76 | PLA2G2A (0.47) | PLA2G2APLA2G10PARP1KDM4EHPGD | |
| SCHEMBL27837954 | 0.76 | PLA2G2A (0.47) | NPC1RAB9APLA2G2APLA2G10PARP1 | |
| SCHEMBL11095452 | 0.76 | PLA2G2A (0.47) | NPC1RAB9APLA2G2APLA2G10PARP1 | |
| SCHEMBL262368 | 0.76 | NPC1 (0.58) | NPC1RAB9AKDM4EHPGDTSHR | |
| SCHEMBL28212773 | 0.76 | KDM4E (0.42) | KDM4EHPGDTSHRHSD17B10MEN1 | |
| SCHEMBL7106844 | 0.75 | PARP1 (0.43) | NPC1RAB9APARP1MAPTBCAT2 |
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-106459000-A | NOVEL 3-[(PYRAZOL-5-YL)-HETEROARYL]-BENZAMIDE DERIVATIVES | 拜耳作物科学股份公司 | 2017-02-22 | — | — | CN | disclosed |