Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 3/20 | 0.47 |
| ▸ | BCR | P11274 | 3/20 | 0.47 |
| ▸ | SRC | P12931 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.46 |
| ▸ | PRKACA | P17612 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3439837 | 0.86 | HTT (0.53) | TSHRRECQLHTTALDH1A1HPGD | |
| SCHEMBL29833501 | 0.81 | CAMK2D (0.56) | EGFRMAPTCDK2CDK4CAMK2D | |
| SCHEMBL3439822 | 0.76 | HTT (0.46) | HTTALDH1A1HPGDEGFRMAPT | |
| SCHEMBL4478900 | 0.76 | GSK3B (0.59) | EGFRCDK2CDK4CAMK2DABL1 | |
| SCHEMBL3439839 | 0.74 | HTT (0.54) | TSHRRECQLHTTALDH1A1HPGD | |
| SCHEMBL14292619 | 0.74 | FAAH (0.42) | HTTALDH1A1HPGDEGFRMAPT | |
| SCHEMBL14292769 | 0.74 | FAAH (0.46) | HTTALDH1A1EGFRMAPTCDK2 | |
| SCHEMBL14292654 | 0.74 | LMNA (0.43) | HTTALDH1A1HPGDEGFRMAPT | |
| SCHEMBL27354841 | 0.73 | RECQL (0.53) | TSHRRECQLHTTALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL2115709 | 0.73 | TSHR (0.42) | TSHRRECQLHTTALDH1A1HPGD |
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-2022199589-A1 | PYRIMIDINE DERIVATIVES | 南京明德新药研发有限公司 | 2022-09-29 | — | — | WO | disclosed |