Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | CASP1 | P29466 | 2/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CASP7 | P55210 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 13/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2198488 | 1.00 | CYP1A2 (0.59) | CYP1A2ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL20598536 | 0.86 | CYP1A2 (0.61) | CYP1A2ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL30345509 | 0.86 | CYP1A2 (0.63) | CYP1A2ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL663504 | 0.86 | CYP1A2 (0.63) | CYP1A2ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL12025752 | 0.85 | CYP1A2 (0.49) | CYP1A2ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL27657670 | 0.84 | CYP1A2 (0.51) | CYP1A2ALDH1A1TSHRMAPK1HSD17B10 | |
| Fluoranthene SCHEMBL27657669 | 0.84 | CYP1A2 (0.51) | CYP1A2ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL8010799 | 0.84 | ALDH1A1 (0.67) | CYP1A2ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL20259109 | 0.81 | CYP1A2 (0.51) | CYP1A2ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL12200333 | 0.81 | ALDH1A1 (0.56) | CYP1A2ALDH1A1TSHRMAPK1HSD17B10 |
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-115427400-B | Compound and organic light emitting device comprising the same | 株式会社LG化学 | 2024-08-02 | — | — | CN | disclosed |