Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 15/20 | 0.42 |
| ▸ | CA1 | P00915 | 13/20 | 0.42 |
| ▸ | CA12 | O43570 | 11/20 | 0.42 |
| ▸ | CA9 | Q16790 | 9/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.39 |
| ▸ | CA5A | P35218 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30628131 | 0.72 | IDO1 (0.41) | CA2CA1CA12CA9CA14 | |
| SCHEMBL3196995 | 0.67 | LMNA (0.59) | CA2CA1CA12CA9CA14 | |
| SCHEMBL18247067 | 0.66 | APLNR (0.53) | CA2CA1CA12CA9CA14 | |
| SCHEMBL3751577 | 0.65 | — | — | |
| SCHEMBL28218983 | 0.63 | — | — | |
| SCHEMBL1414871 | 0.62 | CA1 (0.67) | CA2CA1CA12CA9CA14 | |
| Ammonia Solution, Strong SCHEMBL28300077 | 0.61 | — | — | |
| SCHEMBL3208037 | 0.61 | TAAR1 (0.50) | CA2CA1CA12CA9CA14 | |
| SCHEMBL12641989 | 0.61 | — | — | |
| SCHEMBL31398260 | 0.59 | CA1 (0.68) | CA2CA1CA12CA9CA14 |
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-109897011-A | A kind of IDO inhibitor and its application | 上海华汇拓医药科技有限公司 | 2019-06-18 | — | — | CN | disclosed |