Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | GLS | O94925 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29966651 | 0.90 | SMN1; SMN2 (0.49) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14774643 | 0.85 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20809415 | 0.83 | LMNA (0.43) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2036741 | 0.79 | MAPT (0.49) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27818739 | 0.78 | TDP1 (0.47) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1754917 | 0.77 | AHR (0.47) | CYP3A4ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL29443976 | 0.77 | AHR (0.47) | CYP3A4ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL24798942 | 0.77 | TYR (0.54) | CDYLPKMKDM4E | |
| SCHEMBL13322432 | 0.77 | IAPP (0.54) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1MAPT | |
| SCHEMBL22367598 | 0.77 | CYP1A2 (0.52) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 |
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-115260173-A | Cyclopentanoindole branched-chain acid derivative and preparation method and application thereof | 厦门宝太生物科技股份有限公司 | 2022-11-01 | — | — | CN | disclosed |