Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA4 | P22748 | 3/20 | 0.50 |
| ▸ | CA6 | P23280 | 3/20 | 0.50 |
| ▸ | CA5A | P35218 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.50 |
| ▸ | F13A1 | P00488 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | THPO | P40225 | 2/20 | 0.50 |
| ▸ | CASP2 | P42575 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10456364 | 0.90 | CA12 (0.56) | CA12CA2CA4CA6CA5A | |
| SCHEMBL947067 | 0.90 | CASP2 (0.36) | CA12CA2CA4CA6CA5A | |
| SCHEMBL5501507 | 0.88 | CA12 (0.39) | CA12CA2CA4CA6CA5A | |
| SCHEMBL10456367 | 0.88 | CA12 (0.59) | CA12CA2CA4CA6CA5A | |
| SCHEMBL10456366 | 0.86 | CA12 (0.54) | CA12CA2CA4CA6CA5A | |
| SCHEMBL17740072 | 0.84 | GNAI3 (0.41) | CA12CA2CA4CA6CA5A | |
| SCHEMBL27706726 | 0.82 | CA12 (0.48) | CA12CA2CA4CA6CA5A | |
| SCHEMBL3968889 | 0.79 | CA12 (0.50) | CA12CA2CA4CA6CA5A | |
| SCHEMBL2479651 | 0.77 | — | — | |
| SCHEMBL948059 | 0.77 | ACE2 (0.36) | CA12CA2CA4CA6CA5A |
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-109803686-A | Composition comprising source metal, dithiocar-bamate and cyclodextrin | 德国癌症研究公共权益基金会 | 2019-05-24 | — | — | CN | disclosed |
| CN-105008344-B | Bruton's tyrosine kinase inhibitor | 辉瑞公司 | 2017-07-25 | — | — | CN | disclosed |