Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | METAP2 | P50579 | 2/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27159441 | 0.84 | KMO (0.51) | KMOKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL13137284 | 0.78 | HDAC8 (0.40) | KMOHDAC8KDM4EMEN1ALDH1A1 | |
| SCHEMBL3657596 | 0.76 | CYP11B1 (0.47) | KMOHDAC8KDM4EALDH1A1MAPT | |
| SCHEMBL14765172 | 0.76 | HDAC8 (0.39) | KMOHDAC8KDM4EMEN1ALDH1A1 | |
| SCHEMBL11794 | 0.76 | EGFR (0.46) | KMOHDAC8ALDH1A1MAPTMCL1 | |
| SCHEMBL3660473 | 0.76 | KMO (0.51) | KMOHDAC8ALDH1A1MAPTKMT2A | |
| SCHEMBL15798967 | 0.76 | HDAC8 (0.39) | KMOHDAC8KDM4EMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11202185 | 0.74 | HTR2A (0.44) | KMOKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL13468 | 0.74 | HDAC8 (0.39) | KMOHDAC8NOS1METAP2CSNK2A1 | |
| SCHEMBL25045382 | 0.72 | HTR7 (0.39) | HDAC8HTR2A |
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-117120419-A | KLK5 bicyclic heteroaromatic inhibitors | 拜奥克里斯特制药公司 | 2023-11-24 | — | — | CN | disclosed |