Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL9613513 | 0.87 | — | — | |
| SCHEMBL10155509 | 0.78 | CA12 (0.61) | CA12CA2CA9HDAC8HDAC6 | |
| SCHEMBL715894 | 0.77 | — | — | |
| SCHEMBL19052251 | 0.77 | — | — | |
| SCHEMBL28280651 | 0.76 | CYP1A2 (0.52) | CA12CA2CA9 | |
| SCHEMBL637498 | 0.75 | HTT (0.45) | CA12CA2CA9NPSR1CYP2C19 | |
| SCHEMBL6123494 | 0.75 | HTT (0.45) | CA12CA2CA9NPSR1CYP2C19 | |
| SCHEMBL29108006 | 0.74 | GNAI3 (0.47) | CA12CA2CA9NPSR1CA1 | |
| SCHEMBL11918974 | 0.73 | NPSR1 (0.45) | CA12CA2CA9NPSR1 | |
| SCHEMBL3422335 | 0.71 | CA12 (0.50) | CA12CA2CA9CYP2D6HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2578584-A1 | ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | Si Chuan University (CN) | 2013-04-10 | — | — | EP | disclosed |