Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 6/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | BRD2 | P25440 | 1/20 | 0.38 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | STS | P08842 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28302149 | 0.85 | CA2 (0.43) | KMT2ACA2ACACBALOX5ADRB2 | |
| SCHEMBL28302128 | 0.82 | CA2 (0.48) | LMNACA2ALOX5NR1H2 | |
| SCHEMBL3386695 | 0.80 | LMNA (0.48) | LMNAALDH1A1KMT2ACA2ACACB | |
| SCHEMBL13400331 | 0.73 | LMNA (0.48) | LMNAALDH1A1KMT2AACACBADRB2 | |
| SCHEMBL28302172 | 0.73 | CACNA1B (0.35) | LMNAALDH1A1KMT2ACA2ACACB | |
| SCHEMBL27885422 | 0.72 | ALDH1A1 (0.52) | LMNAALDH1A1KMT2ABRD4BRD2 | |
| SCHEMBL13469348 | 0.71 | ALDH1A1 (0.58) | LMNAALDH1A1KMT2ABRD4BRD2 | |
| SCHEMBL14249971 | 0.71 | ALDH1A1 (0.58) | LMNAALDH1A1KMT2ABRD4BRD2 | |
| SCHEMBL15899804 | 0.71 | ALDH1A1 (0.55) | LMNAALDH1A1KMT2ABRD4BRD2 | |
| SCHEMBL18151417 | 0.71 | ALDH1A1 (0.58) | LMNAALDH1A1KMT2ABRD4BRD2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109952298-A | Indole carboxamides analog derivative, preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2019-06-28 | — | — | CN | disclosed |