Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 7/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5002610 | 1.00 | LRRK2 (0.60) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL14924967 | 0.93 | LRRK2 (0.59) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL20509703 | 0.89 | SMN1; SMN2 (0.56) | KMT2AMEN1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL30779603 | 0.89 | SMN1; SMN2 (0.56) | KMT2AMEN1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL5002701 | 0.89 | KMT2A (0.48) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL30779559 | 0.88 | HSD17B10 (0.57) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL21644575 | 0.88 | HSD17B10 (0.57) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL5006248 | 0.87 | KMT2A (0.46) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL5006252 | 0.87 | KMT2A (0.46) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 | |
| SCHEMBL14029812 | 0.87 | KMT2A (0.46) | LRRK2CYP3A4SLCO1B1KMT2AMEN1 |
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-111164074-B | Heat shock protein 90 inhibitors | 台北医学大学 | 2024-02-02 | — | — | CN | disclosed |