Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL16368 | 0.85 | TP53 (0.64) | LMNAALDH1A1TP53MAPTHPGD | |
| SCHEMBL5053806 | 0.79 | LMNA (0.43) | LMNAALDH1A1TP53MAPTHPGD | |
| Guaiacol SCHEMBL3221960 | 0.79 | — | — | |
| SCHEMBL24855086 | 0.74 | CYP3A4 (0.55) | LMNAALDH1A1TP53MAPTHPGD | |
| SCHEMBL31412864 | 0.73 | LMNA (0.39) | LMNAALDH1A1TP53MAPTHPGD | |
| SCHEMBL1066407 | 0.72 | L3MBTL1 (0.46) | LMNAALDH1A1TP53MAPTHPGD | |
| SCHEMBL29398595 | 0.72 | MAOB (0.45) | ALDH1A1TP53HPGDMAPK1CA1 | |
| SCHEMBL27859539 | 0.72 | ALDH1A1 (0.42) | LMNAALDH1A1TP53MAPTHPGD | |
| SCHEMBL6194083 | 0.71 | MAPK1 (0.47) | LMNAALDH1A1TP53MAPTHPGD | |
| 1,2-Dimethoxybenzene SCHEMBL3661985 | 0.70 | CA1 (0.61) | LMNAALDH1A1TP53MAPTHPGD |
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-116589465-A | Cyclic molecules as inhibitors of bruton's tyrosine kinase | 明慧医药（上海）有限公司 | 2023-08-15 | — | — | CN | disclosed |
| CN-113710671-B | Cyclic molecules as inhibitors of bruton's tyrosine kinase | 明慧医药（上海）有限公司 | 2023-04-28 | — | — | CN | disclosed |
| WO-2020147798-A1 | CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR | 明慧医药（上海）有限公司 | 2020-07-23 | — | — | WO | disclosed |