Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL30362927 | 0.83 | ALDH1A1 (0.39) | TDP1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL707792 | 0.82 | OPRK1 (0.52) | ALDH1A1POLBLMNAMAPTMEN1 | |
| SCHEMBL8072110 | 0.80 | ALDH1A1 (0.44) | TDP1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28999951 | 0.79 | ALDH1A1 (0.41) | TDP1ALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL28999956 | 0.78 | MAPT (0.42) | ALDH1A1CYP1A2CYP2C9LMNANPC1 | |
| SCHEMBL30363107 | 0.78 | MAPT (0.42) | ALDH1A1CYP1A2CYP2C9LMNANPC1 | |
| SCHEMBL12528786 | 0.77 | TDP1 (0.56) | TDP1ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28999955 | 0.77 | MAPT (0.41) | ALDH1A1CYP1A2CYP2C9SMN1; SMN2POLB | |
| SCHEMBL25245458 | 0.75 | MAPT (0.42) | TDP1ALDH1A1SMN1; SMN2POLBLMNA | |
| SCHEMBL29028896 | 0.75 | ALDH1A1 (0.60) | TDP1ALDH1A1CYP1A2CYP2C9CYP2C19 |
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-116075512-A | Heterocyclic compounds and imaging agents for imaging huntingtin | CHDI基金会股份有限公司 | 2023-05-05 | — | — | CN | disclosed |