Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25221249 | 0.87 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR | |
| SCHEMBL16086477 | 0.82 | SMN1; SMN2 (0.73) | SMN1; SMN2CYP4F2CYP4A11CYP1A2ALDH1A1 | |
| SCHEMBL29237448 | 0.81 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR | |
| Bromide SCHEMBL15825597 | 0.81 | SMN1; SMN2 (0.71) | SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL7249126 | 0.81 | SMN1; SMN2 (0.71) | SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR | |
| SCHEMBL1567646 | 0.81 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP4F2CYP4A11CYP1A2ALDH1A1 | |
| SCHEMBL20033831 | 0.81 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR | |
| SCHEMBL29237700 | 0.80 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP4F2CYP4A11CYP1A2ALDH1A1 | |
| SCHEMBL18834525 | 0.80 | SMN1; SMN2 (0.44) | SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR | |
| SCHEMBL25219340 | 0.79 | SMN1; SMN2 (0.41) | SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR |
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-2023103898-A1 | COMPOUND HAVING CLK AND DYRK INHIBITORY ACTIVITIES, PREPARATION METHOD THEREFOR AND USE THEREOF | 赛诺哈勃药业（成都）有限公司 | 2023-06-15 | — | — | WO | disclosed |