Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL6209725 | 0.89 | TSHR (0.40) | TSHRCA12CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL5254248 | 0.86 | TSHR (0.43) | CYP11B1CYP11B2SIRT2TSHRCA12 | |
| SCHEMBL3693498 | 0.83 | MTNR1A (0.35) | GAATRPV1 | |
| SCHEMBL16319065 | 0.82 | HSP90AB1 (0.51) | CYP11B1CYP11B2SIRT2TSHRCA12 | |
| SCHEMBL3931471 | 0.81 | L3MBTL1 (0.46) | CYP11B1CYP11B2TSHRCA12CA2 | |
| SCHEMBL4055572 | 0.81 | CYP4F2 (0.44) | CYP11B1CYP11B2LMNAKDM4EALDH1A1 | |
| SCHEMBL3928906 | 0.81 | CYP19A1 (0.47) | CYP11B1CYP11B2SIRT2LMNAKDM4E | |
| SCHEMBL3932054 | 0.78 | CYP3A4 (0.44) | CYP11B1CYP11B2TSHRALDH1A1HTT | |
| SCHEMBL28451580 | 0.77 | KMT2A (0.45) | CYP11B1CYP11B2LMNAALDH1A1MAPT | |
| Ammonia Solution, Strong SCHEMBL3929524 | 0.77 | CYP3A4 (0.43) | CYP11B1CYP11B2TSHRALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-111484482-B | Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2022-06-21 | — | — | CN | disclosed |
| WO-2020156283-A1 | ALKYNYLPYRIMIDINE OR ALKYNYLPYRIDINE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2020-08-06 | — | — | WO | disclosed |
| CN-111484482-A | Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2020-08-04 | — | — | CN | disclosed |