Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.70 |
| ▸ | CCND1 | P24385 | 4/20 | 0.70 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3995842 | 1.00 | CDK4 (0.70) | CDK4CCND1HTR2AHTR2CSMPD1 | |
| SCHEMBL30630289 | 0.89 | CDK4 (0.68) | CDK4CCND1HTR2AHTR2CSMPD1 | |
| SCHEMBL2080600 | 0.89 | CDK4 (0.68) | CDK4CCND1HTR2AHTR2CSMPD1 | |
| SCHEMBL464099 | 0.80 | CDK4 (0.78) | CDK4CCND1HTR2AHTR2CSMPD1 | |
| SCHEMBL29374771 | 0.80 | CDK4 (0.78) | CDK4CCND1HTR2AHTR2CSMPD1 | |
| SCHEMBL14578718 | 0.80 | CDK4 (0.59) | CDK4CCND1HTR2AHTR2CSMPD1 | |
| SCHEMBL7873205 | 0.80 | CDK4 (0.60) | CDK4CCND1KMT2AMAPK1LMNA | |
| SCHEMBL11366447 | 0.79 | CDK4 (1.00) | CDK4CCND1HTR2AHTR2CALDH1A1 | |
| SCHEMBL91358 | 0.79 | HTR2A (0.51) | CDK4CCND1HTR2AHTR2CGLO1 | |
| SCHEMBL30495581 | 0.79 | CDK4 (0.81) | CDK4CCND1HTR2AHTR2CABCB1 |
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-118742543-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2024-10-01 | — | — | CN | disclosed |