Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | ACR | P10323 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30909436 | 0.89 | CA1 (0.62) | CA1CA2CA12CA7CA9 | |
| SCHEMBL8579858 | 0.89 | CA1 (0.62) | CA1CA2CA12CA7CA9 | |
| SCHEMBL1130571 | 0.86 | CA1 (0.52) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27853483 | 0.83 | CA1 (0.54) | CA1CA2CA12CA7CA9 | |
| SCHEMBL29655351 | 0.83 | CA12 (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL236191 | 0.83 | CA12 (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL4090570 | 0.82 | CA12 (0.48) | CA1CA2CA12CA7CA9 | |
| SCHEMBL4095035 | 0.82 | CA12 (0.48) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL27898360 | 0.82 | CA1 (0.72) | CA1CA2CA12CA7CA9 | |
| Guaiacol Carbonate SCHEMBL21541 | 0.80 | CA1 (0.62) | CA1CA2CA12CA7CA9 |
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-111372936-B | Mcl-1 selective inhibitors, their preparation and use | 北京赛林泰医药技术有限公司 | 2022-12-02 | — | — | CN | disclosed |
| CN-111372936-A | Mcl-1 selective inhibitors, their preparation and use | 北京赛林泰医药技术有限公司 | 2020-07-03 | — | — | CN | disclosed |
| US-6218406-B1 | AS ANTITUMOR AND ANTILEUKEMIC AGENTS | AVENTIS PHARMA S.A. (FR) | 2001-04-17 | — | — | US | disclosed |