Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 2/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | F11 | P03951 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL28658036 | 0.79 | CYP2A6 (0.50) | TYMSCYP2A6TSHRALDH1A1CYP3A4 | |
| SCHEMBL28647579 | 0.77 | TYMS (0.41) | TYMSCYP2A6TSHRAHRCHEK1 | |
| SCHEMBL29650526 | 0.77 | TYMS (0.41) | TYMSCYP2A6TSHRAHRCHEK1 | |
| SCHEMBL23155056 | 0.73 | AR (0.41) | TYMSCYP2A6TSHRALDH1A1CYP3A4 | |
| SCHEMBL31590230 | 0.73 | AR (0.41) | TYMSCYP2A6TSHRALDH1A1CYP3A4 | |
| SCHEMBL25302675 | 0.73 | TYMS (0.41) | TYMSCYP2A6TP53TSHRALDH1A1 | |
| SCHEMBL6561368 | 0.72 | CYP2A6 (0.57) | TYMSCYP2A6TP53TSHRALDH1A1 | |
| SCHEMBL12273631 | 0.71 | CYP2A6 (0.44) | TYMSCYP2A6TSHRALDH1A1CYP3A4 | |
| SCHEMBL9244984 | 0.71 | CYP2A6 (0.54) | TYMSCYP2A6TP53TSHRALDH1A1 | |
| SCHEMBL29650355 | 0.71 | CYP1A2 (0.54) | TYMSCYP2A6TSHRALDH1A1TDP1 |
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-108117548-B | Spirofluorene compound, application thereof, thermal activation delayed fluorescence material and organic electroluminescent device using spirofluorene compound | 北京鼎材科技有限公司 | 2022-01-28 | — | — | CN | disclosed |