Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.31 |
| ▸ | TUBB | P07437 | 2/20 | 0.31 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.31 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.31 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.31 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.31 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.31 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.31 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.31 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.31 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.31 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.31 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29684443 | 0.75 | NOS1 (0.39) | HTTPTK2NOS1 | |
| SCHEMBL29863669 | 0.72 | NOS1 (0.37) | HTTPTK2NOS1 | |
| SCHEMBL4830696 | 0.72 | NOS1 (0.37) | HTTPTK2CHEK1NOS1 | |
| SCHEMBL4838398 | 0.72 | NOS1 (0.37) | HTTPTK2NOS1 | |
| SCHEMBL19414396 | 0.71 | CHEK1 (0.54) | HTTCHEK1AURKA | |
| SCHEMBL22119097 | 0.71 | HTT (0.36) | HTTPTK2NOS1 | |
| SCHEMBL29161531 | 0.70 | CHEK1 (0.53) | HTTPTK2CHEK1AURKAMEN1 | |
| SCHEMBL29864632 | 0.68 | NOS1 (0.34) | HTTPTK2NOS1 | |
| SCHEMBL6747380 | 0.64 | CHEK1 (0.56) | CHEK1AURKAEGFR | |
| SCHEMBL30774342 | 0.63 | TUBB4A (0.60) | MEN1KMT2ATUBB4ATUBBTUBA3C |
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-117624063-A | Heterocyclic compound and application thereof | 中国科学院上海药物研究所 | 2024-03-01 | — | — | CN | disclosed |