Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CHAT | P28329 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26040175 | 0.82 | CYP2A6 (0.48) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL610868 | 0.73 | ALDH1A1 (0.42) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL669216 | 0.72 | ALDH1A1 (0.40) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Methane SCHEMBL11666193 | 0.72 | ALDH1A1 (0.40) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL669217 | 0.72 | ALDH1A1 (0.40) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL6684284 | 0.70 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Phenanthrene SCHEMBL2087874 | 0.70 | CYP2A6 (0.92) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Phenanthrene SCHEMBL6281749 | 0.70 | CYP2A6 (0.92) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL22310963 | 0.67 | TDP1 (0.52) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Phenanthrene SCHEMBL7643 | 0.66 | CYP2A6 (1.00) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024049159-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2024-03-07 | — | — | WO | disclosed |