Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.45 |
| ▸ | CASR | P41180 | 3/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18530961 | 0.87 | CYP1A2 (0.52) | CYP1A2CYP2A6HSD17B1HSD17B2MAPK1 | |
| SCHEMBL29549050 | 0.85 | CYP1A2 (0.52) | CYP1A2CYP2A6MAPK1KDM4ETSHR | |
| SCHEMBL2529937 | 0.83 | HSD17B1 (0.59) | CYP1A2CYP2A6HSD17B1HSD17B2PLAU | |
| SCHEMBL31556780 | 0.83 | HSD17B1 (0.59) | CYP1A2CYP2A6HSD17B1HSD17B2PLAU | |
| SCHEMBL27607735 | 0.79 | PLAU (0.70) | CYP1A2HSD17B1HSD17B2PLAULMNA | |
| SCHEMBL18529228 | 0.79 | CYP2A6 (0.45) | CYP1A2CYP2A6HSD17B1HSD17B2PLAU | |
| SCHEMBL29291191 | 0.79 | CYP2A6 (0.45) | CYP1A2CYP2A6HSD17B1HSD17B2CASR | |
| SCHEMBL29291203 | 0.79 | CYP1A2 (0.53) | CYP1A2CYP2A6HSD17B1HSD17B2PLAU | |
| SCHEMBL30214159 | 0.78 | CYP1A2 (0.65) | CYP1A2CYP2A6HSD17B1HSD17B2TP53 | |
| SCHEMBL217637 | 0.78 | CYP1A2 (0.65) | CYP1A2CYP2A6HSD17B1HSD17B2TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109843856-A | KRAS G12C inhibitor | 米拉蒂治疗股份有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-109715632-A | Macrocyclic indole derivatives | 拜尔公开股份有限公司 | 2019-05-03 | — | — | CN | disclosed |