Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.60 |
| ▸ | CA2 | P00918 | 2/20 | 0.60 |
| ▸ | MMP1 | P03956 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | MMP13 | P45452 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL69218 | 0.88 | CA1 (0.75) | CA1CA2MAPTSMN1; SMN2TDP1 | |
| Methyl Isonicotinate SCHEMBL180574 | 0.84 | CYP1A2 (0.60) | CA1CA2MAPTSMN1; SMN2LMNA | |
| Methyl Isonicotinate SCHEMBL820082 | 0.84 | CYP1A2 (0.60) | CA1CA2MAPTSMN1; SMN2LMNA | |
| SCHEMBL2188276 | 0.82 | CA1 (0.88) | CA1CA2MAPTLMNATDP1 | |
| SCHEMBL20252722 | 0.82 | CA1 (0.67) | CA1CA2MAPTSMN1; SMN2TDP1 | |
| SCHEMBL9731450 | 0.82 | CA1 (0.67) | CA1CA2MAPTSMN1; SMN2LMNA | |
| Methyl Isonicotinate SCHEMBL9213497 | 0.82 | LMNA (0.58) | CA1CA2MAPTSMN1; SMN2LMNA | |
| Methyl Isonicotinate SCHEMBL9217491 | 0.82 | LMNA (0.58) | CA1CA2MAPTSMN1; SMN2LMNA | |
| Methyl Isonicotinate SCHEMBL29827431 | 0.82 | LMNA (0.58) | CA1CA2MAPTSMN1; SMN2LMNA | |
| SCHEMBL3530054 | 0.82 | KMT2A (0.64) | CA1CA2MAPTSMN1; SMN2LMNA |
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-115073468-B | Preparation and application of imidazopyrazines BTK inhibitor | 药雅科技(上海)有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-115073468-A | Preparation and application of imidazopyrazine BTK inhibitor | 药雅科技(上海)有限公司 | 2022-09-20 | — | — | CN | disclosed |