Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1191487 | 0.75 | MEN1 (0.40) | CA12CA1CA2CA9ADORA3 | |
| SCHEMBL3985923 | 0.74 | KDM4E (0.33) | KDM4EALDH1A1 | |
| SCHEMBL18284673 | 0.74 | CYP19A1 (0.39) | CA12CA1CA2CA9ADORA3 | |
| SCHEMBL31740751 | 0.73 | CA12 (0.39) | CA12CA1CA2CA9MAPK1 | |
| SCHEMBL28099160 | 0.69 | POLB (0.44) | CA12CA1CA2CA9ADORA3 | |
| SCHEMBL9464929 | 0.67 | NOS1 (0.38) | MAPK1KDM4EALDH1A1NPC1GAA | |
| SCHEMBL27816541 | 0.66 | CA12 (0.44) | CA12CA9TSHRMAPK1ALDH1A1 | |
| SCHEMBL7627710 | 0.64 | POLB (0.35) | CA12CA1CA2CA9ADORA3 | |
| SCHEMBL30415564 | 0.63 | RECQL (0.38) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1205563 | 0.63 | — | — |
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-106170489-B | New Pyrazolopyrimidine derivative and its purposes as MALT1 inhibitor | 诺华股份有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-106170489-A | New Pyrazolopyrimidine derivative and the purposes as MALT1 inhibitor thereof | 诺华股份有限公司 | 2016-11-30 | — | — | CN | disclosed |