Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19957271 | 0.83 | — | — | |
| SCHEMBL19957385 | 0.76 | KDM4A (0.31) | KDM4A | |
| SCHEMBL24165639 | 0.76 | ALDH1A1 (0.35) | ALDH1A1CYP3A4 | |
| SCHEMBL13829616 | 0.70 | — | — | |
| SCHEMBL10082822 | 0.70 | — | — | |
| SCHEMBL23825467 | 0.68 | ALDH1A1 (0.36) | ALDH1A1CYP3A4 | |
| SCHEMBL18065380 | 0.68 | ALDH1A1 (0.39) | ALDH1A1CYP3A4 | |
| SCHEMBL23825464 | 0.68 | ALDH1A1 (0.36) | ALDH1A1CYP3A4 | |
| SCHEMBL18065381 | 0.68 | ALDH1A1 (0.39) | ALDH1A1CYP3A4 | |
| SCHEMBL23396681 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023016540-A1 | UREA MULTI-TARGET TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF | 上海爱博医药科技有限公司 | 2023-02-16 | — | — | WO | disclosed |
| WO-2022098828-A1 | PHARMACEUTICAL COMPOSITIONS OF A KINASE INHIBITOR | EXELIXIS, INC. (US) | 2022-05-12 | — | — | WO | disclosed |
| EP-3293177-A1 | TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2018-03-14 | — | — | EP | disclosed |