Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 5/20 | 0.32 |
| ▸ | CA3 | P07451 | 2/20 | 0.31 |
| ▸ | CA5A | P35218 | 2/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| SCHEMBL28529367 | 1.00 | CA2 (0.36) | CA2ALDH1A1POLBSMN1; SMN2MEN1 | |
| SCHEMBL24380351 | 0.83 | EPHX1 (0.41) | CA2ALDH1A1POLBSMN1; SMN2MEN1 | |
| SCHEMBL12741095 | 0.83 | ASAH1 (0.37) | ALDH1A1POLBCNR2MMP1RIPK1 | |
| SCHEMBL21789730 | 0.83 | ASAH1 (0.37) | ALDH1A1POLBCNR2MMP1RIPK1 | |
| SCHEMBL23612990 | 0.83 | ASAH1 (0.37) | ALDH1A1POLBCNR2MMP1RIPK1 | |
| SCHEMBL4334551 | 0.83 | CNR2 (0.33) | CNR2MMP1RIPK1 | |
| SCHEMBL28534168 | 0.82 | EPHX1 (0.34) | CA2ALDH1A1POLBSMN1; SMN2MEN1 | |
| SCHEMBL28534167 | 0.82 | EPHX1 (0.34) | CA2ALDH1A1POLBSMN1; SMN2MEN1 | |
| SCHEMBL4332752 | 0.78 | CNR2 (0.35) | CA2CNR2CA7MMP1RIPK1 | |
| SCHEMBL4337970 | 0.78 | CNR2 (0.35) | CA2CNR2CA7MMP1RIPK1 |
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-112480121-A | Polycyclic derivative and preparation thereof | 四川海思科制药有限公司 | 2021-03-12 | — | — | CN | disclosed |