Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29071720 | 0.80 | MAPT (0.46) | KDM4EKMT2ADYRK1ACLK4ALDH1A1 | |
| SCHEMBL29071715 | 0.78 | RAB9A (0.47) | KMT2ADYRK1ACLK4ALDH1A1ADORA1 | |
| SCHEMBL29071593 | 0.75 | KDM4E (0.45) | KDM4EKMT2AALDH1A1CYP3A4ADORA1 | |
| SCHEMBL29071592 | 0.75 | TDO2 (0.46) | TDO2ADORA2AALDH1A1ADORA1MAP4K4 | |
| SCHEMBL29071722 | 0.75 | KDM4E (0.47) | KDM4EKMT2AADORA2AADORA1MAPT | |
| SCHEMBL29071607 | 0.75 | RAB9A (0.47) | KDM4EKMT2AALDH1A1LMNAMAPT | |
| SCHEMBL196765 | 0.72 | CYP3A4 (0.73) | KDM4EKMT2ADYRK1ACLK4ALDH1A1 | |
| SCHEMBL29489425 | 0.72 | CYP3A4 (0.73) | KDM4EKMT2ADYRK1ACLK4ALDH1A1 | |
| SCHEMBL20150248 | 0.71 | ADORA2A (0.60) | TDO2KDM4EKMT2ADYRK1ACLK4 | |
| SCHEMBL29628977 | 0.70 | CYP3A4 (0.77) | DYRK1ACLK4ALDH1A1CYP3A4NOTUM |
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-116535356-A | 3-amino-5-phenyl-pyrazole derivative tubulin inhibitor and preparation and medical application thereof | 中国药科大学 | 2023-08-04 | — | — | CN | disclosed |