Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | TLR2 | O60603 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21175587 | 0.80 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL15331984 | 0.79 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL21175614 | 0.78 | CA1 (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6596150 | 0.78 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27772296 | 0.77 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL13019683 | 0.76 | CA1 (0.57) | CA1CA2CA7CA9CA12 | |
| SCHEMBL5759427 | 0.76 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL169082 | 0.76 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL8698872 | 0.76 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27878019 | 0.76 | CA1 (0.46) | CA1CA2CA7CA9CA12 |
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-110452253-A | Mcl-1 selective depressant and its preparation and use | CENTAURUS BIOPHARMA CO LTD | 2019-11-15 | — | — | CN | disclosed |
| CN-109824690-A | Mcl-1 selective depressant and its preparation and use | 北京赛林泰医药技术有限公司 | 2019-05-31 | — | — | CN | disclosed |