Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.34 |
| ▸ | TUBB | P07437 | 2/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.34 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.34 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.34 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.34 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.34 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.34 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.34 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28467538 | 1.00 | CYP2A6 (0.51) | CYP2A6PRKCITUBB4ATUBBTUBA3C | |
| SCHEMBL28467541 | 1.00 | CYP2A6 (0.51) | CYP2A6PRKCITUBB4ATUBBTUBA3C | |
| SCHEMBL22158948 | 0.82 | PLA2G4A (0.50) | CYP2A6 | |
| SCHEMBL22158946 | 0.82 | PLA2G4A (0.50) | CYP2A6 | |
| SCHEMBL22158950 | 0.82 | PLA2G4A (0.50) | CYP2A6 | |
| SCHEMBL22079057 | 0.78 | MAOB (0.51) | DYRK1ADYRK1BSRCMAOB | |
| SCHEMBL22079051 | 0.78 | MAOB (0.51) | DYRK1ADYRK1BSRCMAOB | |
| SCHEMBL22567833 | 0.77 | TUBB4A (0.40) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL31737107 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL30239589 | 0.75 | ALDH1A1 (0.50) | PKM |
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-111518166-B | Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2023-01-31 | — | — | CN | disclosed |