Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | THRB | P10828 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL232793 | 0.80 | CA12 (0.62) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7672389 | 0.80 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4976139 | 0.80 | CA12 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL14697809 | 0.80 | CA12 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL126703 | 0.80 | CA12 (0.62) | CA1CA2CA7CA9CA12 | |
| SCHEMBL130818 | 0.78 | TRIM24 (0.57) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28321249 | 0.78 | ALDH1A1 (0.57) | CA1CA2CA7CA9CA12 | |
| SCHEMBL98336 | 0.78 | CA12 (0.43) | CA1CA2CA7CA9CA12 | |
| SCHEMBL317168 | 0.78 | CYP1A2 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1098389 | 0.78 | CA2 (0.43) | 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-107001387-B | compounds that inhibit MCL-1 protein | 美国安进公司 | 2019-03-05 | — | — | CN | disclosed |
| CN-107001387-A | Compounds that inhibit MCL-1 protein | 美国安进公司 | 2017-08-01 | — | — | CN | disclosed |