Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | KLK7 | P49862 | 1/20 | 0.55 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.55 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.55 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.54 |
| ▸ | TUBB | P07437 | 1/20 | 0.54 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.54 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.54 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.54 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.54 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.54 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.54 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.54 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.54 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30487244 | 0.89 | TUBB4A (0.69) | KMT2ATUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL30487239 | 0.88 | TUBB4A (0.61) | SMN1; SMN2KMT2AHSD17B10KDM4EUSP2 | |
| SCHEMBL30487236 | 0.88 | KLK3 (0.70) | SMN1; SMN2KMT2AHSD17B10KDM4EUSP2 | |
| SCHEMBL30487249 | 0.88 | SMN1; SMN2 (0.69) | SMN1; SMN2KMT2AHSD17B10KDM4EUSP2 | |
| SCHEMBL30487246 | 0.82 | TUBB4A (0.79) | SMN1; SMN2KMT2AHSD17B10KDM4EUSP2 | |
| SCHEMBL30487253 | 0.81 | TUBB4A (0.64) | SMN1; SMN2KMT2AHSD17B10KDM4EUSP2 | |
| SCHEMBL30487252 | 0.81 | TUBB4A (0.64) | SMN1; SMN2KMT2AHSD17B10KDM4EUSP2 | |
| SCHEMBL30487251 | 0.80 | TUBB4A (0.79) | SMN1; SMN2KMT2AHSD17B10KDM4EUSP2 | |
| SCHEMBL30487245 | 0.77 | TUBB4A (0.71) | KMT2ATUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL30487248 | 0.77 | TUBB4A (0.78) | HSD17B10KDM4EUSP2TUBB4ATUBB |
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 |