Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | F11 | P03951 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 5/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.31 |
| ▸ | CMA1 | P23946 | 1/20 | 0.31 |
| ▸ | F7 | P08709 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | F3 | P13726 | 1/20 | 0.31 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | F12 | P00748 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28647579 | 1.00 | TYMS (0.41) | TYMSCYP2A6AMY1ACHEK1F11 | |
| SCHEMBL31739379 | 0.82 | CYP2A6 (0.43) | CYP2A6POLBAHRERBB2CYP1A2 | |
| SCHEMBL28679694 | 0.82 | CYP2A6 (0.43) | CYP2A6POLBAHRERBB2CYP1A2 | |
| SCHEMBL12273631 | 0.78 | CYP2A6 (0.44) | TYMSCYP2A6AHRHIPK2ERBB2 | |
| SCHEMBL28672898 | 0.77 | TYMS (0.39) | TYMSCYP2A6CHEK1F11POLB | |
| SCHEMBL6561368 | 0.75 | CYP2A6 (0.57) | TYMSCYP2A6F11POLBAHR | |
| SCHEMBL12205409 | 0.73 | CYP2A6 (0.55) | TYMSCYP2A6F11POLBAHR | |
| SCHEMBL25302675 | 0.72 | TYMS (0.41) | TYMSCYP2A6NR4A2ACHETSHR | |
| SCHEMBL31590230 | 0.72 | AR (0.41) | TYMSCYP2A6AMY1ATSHR | |
| SCHEMBL23155056 | 0.72 | AR (0.41) | TYMSCYP2A6AMY1ATSHR |
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-108117511-B | Spirofluorene ring compound, use thereof, and organic electroluminescent device using the same | 北京鼎材科技有限公司 | 2022-05-27 | — | — | CN | disclosed |