Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | USP7 | Q93009 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CCND3 | P30281 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.38 |
| ▸ | TUBB | P07437 | 3/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL526920 | 0.83 | ALDH1A1 (0.56) | CA1CA2TP53TSHRCDK4 | |
| SCHEMBL29431716 | 0.83 | ALDH1A1 (0.56) | CA1CA2TP53TSHRCDK4 | |
| SCHEMBL28314094 | 0.82 | SLC6A4 (0.46) | CA1CA2TP53TSHRCDK4 | |
| SCHEMBL3786304 | 0.81 | FYN (0.42) | APPTP53CDK4CCND1CDK2 | |
| SCHEMBL21815270 | 0.80 | CA1 (0.55) | CA1CA2TP53TSHRCDK2 | |
| SCHEMBL28222892 | 0.80 | CYP19A1 (0.53) | TP53TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL22777983 | 0.79 | PRKAB2 (0.52) | CA1CA2APPTP53TSHR | |
| SCHEMBL6132279 | 0.79 | MME (0.43) | APPTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL29869241 | 0.79 | IKBKB (0.43) | CA1CA2TP53CDK4CCNA2 | |
| SCHEMBL6011377 | 0.78 | CA1 (0.40) | CA1CA2TP53TSHRMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105017056-B | Phenylpropen ketone derivatives and its preparation method and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2019-02-01 | — | — | CN | disclosed |
| CN-105017056-A | Phenyl acrylketone derivative and preparation method, drug composition and application thereof | INST MATERIA MEDICA CAMS | 2015-11-04 | — | — | CN | disclosed |