Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CDC25A | P30304 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29071713 | 0.80 | TDO2 (0.50) | MAPTALDH1A1KMT2AKDM4EDYRK1A | |
| SCHEMBL29071714 | 0.79 | SMN1; SMN2 (0.37) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29071593 | 0.77 | KDM4E (0.45) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29071598 | 0.75 | MAPT (0.40) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29071719 | 0.75 | NPC1 (0.41) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29071601 | 0.75 | RAB9A (0.41) | ALDH1A1NPC1RAB9AKDM4EDYRK1A | |
| SCHEMBL8029672 | 0.74 | KDM4E (0.40) | ALDH1A1SMN1; SMN2KMT2AKDM4ETP53 | |
| SCHEMBL9151672 | 0.67 | CA1 (0.79) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6733562 | 0.67 | CA1 (0.79) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL197522 | 0.67 | CA1 (0.79) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 |
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 |