Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | GRM5 | P41594 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | FAAH | O00519 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.51 |
| ▸ | HCN1 | O60741 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | WDR5 | P61964 | 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 | |
|---|---|---|---|---|
| SCHEMBL30923249 | 0.85 | GRM5 (0.53) | ALDH1A1TSHRGRM5MEN1KMT2A | |
| SCHEMBL29363800 | 0.84 | ALDH1A1 (0.72) | ALDH1A1TSHRGRM5MEN1KMT2A | |
| SCHEMBL4516387 | 0.84 | ALDH1A1 (0.72) | ALDH1A1TSHRGRM5MEN1KMT2A | |
| SCHEMBL30479222 | 0.81 | SMYD3 (0.57) | MEN1KMT2AMAPK1 | |
| SCHEMBL30479071 | 0.81 | MCHR1 (0.49) | ALDH1A1TSHRGRM5MEN1KMT2A | |
| SCHEMBL30479219 | 0.80 | DYRK1A (0.46) | CNR2MCHR1 | |
| SCHEMBL2468483 | 0.78 | NPC1 (0.71) | ALDH1A1TSHRGRM5MEN1KMT2A | |
| SCHEMBL3702296 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TSHRGRM5MCHR1LMNA | |
| SCHEMBL20069661 | 0.78 | HCN1 (0.56) | ALDH1A1MEN1KMT2AFAAHCNR2 | |
| SCHEMBL17067333 | 0.78 | L3MBTL1 (0.74) | GRM5MEN1KMT2AFAAHCNR2 |
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-118574825-A | Compounds as FAK inhibitors and uses thereof | 微境生物医药科技(上海)有限公司 | 2024-08-30 | — | — | CN | disclosed |
| WO-2023160614-A1 | COMPOUND AS FAK INHIBITOR AND USE THEREOF | 微境生物医药科技(上海)有限公司 | 2023-08-31 | — | — | WO | disclosed |