Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9792758 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPTKMT2AHTTLMNA | |
| SCHEMBL412906 | 0.79 | HDAC1 (0.49) | MAPTCYP19A1HDAC1HDAC6HTT | |
| SCHEMBL10504893 | 0.76 | LMNA (0.52) | ALDH1A1MAPTHDAC1HDAC6MEN1 | |
| SCHEMBL4554609 | 0.74 | CYP19A1 (0.50) | KDM4EALDH1A1CYP19A1 | |
| SCHEMBL10507017 | 0.74 | MEN1 (0.52) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9996069 | 0.71 | ALDH1A1 (0.51) | ALDH1A1MAPTCYP19A1HDAC1HDAC6 | |
| SCHEMBL1438181 | 0.71 | ALDH1A1 (0.62) | KDM4EALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL30998305 | 0.71 | ALDH1A1 (0.62) | KDM4EALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL17217177 | 0.71 | CYP19A1 (0.46) | ALDH1A1MAPTCYP19A1HDAC1HDAC6 | |
| SCHEMBL4890004 | 0.70 | ALPL (0.51) | KDM4EALDH1A1CYP1A2CYP2C19LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024153173-A1 | AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江海正药业股份有限公司 | 2024-07-25 | — | — | WO | disclosed |