Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | FDPS | P14324 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.47 |
| ▸ | TUBB | P07437 | 1/20 | 0.47 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.47 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.47 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.47 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.47 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31004955 | 1.00 | TUBB1 (0.54) | TUBB1CYP1A2CYP1A1CYP2D6CYP1B1 | |
| SCHEMBL7461886 | 0.96 | FDPS (0.51) | TUBB1CYP1A2CYP1A1CYP2D6CYP1B1 | |
| SCHEMBL7457620 | 0.93 | TUBB1 (0.55) | TUBB1CYP1A2CYP1A1CYP2D6CYP1B1 | |
| SCHEMBL6850758 | 0.93 | ALDH1A1 (0.58) | TUBB1CYP1A2CYP1A1CYP2D6CYP1B1 | |
| SCHEMBL3572644 | 0.89 | ALDH1A1 (0.54) | TUBB1CYP1A2CYP1A1CYP2D6CYP1B1 | |
| SCHEMBL15553481 | 0.86 | ALDH1A1 (0.50) | TUBB1CYP1A2CYP1A1CYP2D6CYP1B1 | |
| SCHEMBL14835707 | 0.85 | ALDH1A1 (0.68) | TUBB1CYP1A2ALDH1A1L3MBTL1MAPK1 | |
| SCHEMBL13497712 | 0.82 | ALDH1A1 (0.51) | TUBB1CYP1A2CYP1A1CYP2D6CYP1B1 | |
| SCHEMBL7466433 | 0.82 | FDPS (0.53) | TUBB1CYP1A2ALDH1A1L3MBTL1MAPK1 | |
| SCHEMBL8165089 | 0.81 | ALDH1A1 (0.49) | TUBB1CYP1A2CYP1A1CYP2D6CYP1B1 |
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-118324684-A | Antitumor compound and pharmaceutical composition and application thereof | 上海中医药大学 | 2024-07-12 | — | — | CN | disclosed |