Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 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 | |
|---|---|---|---|---|
| SCHEMBL27707623 | 0.80 | HPRT1 (0.54) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL9305525 | 0.80 | CYP2A6 (0.35) | ALDH1A1HSD17B10HIF1ATSHRCYP2A6 | |
| Phenanthrene SCHEMBL21751231 | 0.75 | ALDH1A1 (0.63) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL5397303 | 0.74 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL28133818 | 0.74 | TRPM4 (0.46) | TRPM4ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL3680748 | 0.73 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HIF1ACYP1B1TSHR | |
| Water SCHEMBL7645615 | 0.72 | ALDH1A1 (0.40) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL2824075 | 0.71 | HSD17B10 (0.44) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL29489771 | 0.71 | HSD17B10 (0.44) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL29489770 | 0.71 | HSD17B10 (0.44) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 |
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-109071578-B | P-chiral phosphine ligand and application thereof in asymmetric synthesis | 巴斯夫欧洲公司 | 2022-01-14 | — | — | CN | disclosed |