Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ACP1 | P24666 | 1/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19199014 | 0.81 | ESR2 (0.44) | ESR2PARP1KDM4EMEN1MAPT | |
| SCHEMBL30473326 | 0.78 | GRM5 (0.49) | ESR2KDM4EMEN1MAPTKMT2A | |
| SCHEMBL29028708 | 0.78 | GRM5 (0.49) | ESR2KDM4EMEN1MAPTKMT2A | |
| SCHEMBL28748705 | 0.73 | ADORA3 (0.57) | ESR2KDM4EMEN1MAPTKMT2A | |
| SCHEMBL28550590 | 0.73 | PARP1 (0.56) | ESR2PARP1MEN1MAPTKMT2A | |
| SCHEMBL28748736 | 0.73 | ESR2 (0.47) | ESR2KDM4EMEN1MAPTKMT2A | |
| SCHEMBL29885024 | 0.73 | ESR2 (0.47) | ESR2KDM4EMEN1MAPTKMT2A | |
| SCHEMBL2627243 | 0.73 | ESR2 (0.47) | ESR2PARP1KDM4EMEN1MAPT | |
| SCHEMBL29472995 | 0.73 | ADORA3 (0.57) | ESR2KDM4EMEN1MAPTKMT2A | |
| SCHEMBL29472998 | 0.73 | PARP1 (0.56) | ESR2PARP1MEN1MAPTKMT2A |
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-116332851-A | Cyanomethyl phenyl indazole compound and preparation method thereof | 河南中医药大学 | 2023-06-27 | — | — | CN | disclosed |