Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAP3K11 | Q16584 | 6/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.35 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.34 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL721859 | 0.89 | PTPN11 (0.47) | PTPN11TGFBR1CA12CA1CA2 | |
| SCHEMBL15171450 | 0.87 | PTPN11 (0.46) | PTPN11TGFBR1CA12CA1CA2 | |
| SCHEMBL15165532 | 0.87 | PTPN11 (0.46) | PTPN11TGFBR1CA12CA1CA2 | |
| SCHEMBL7907745 | 0.85 | PTPN11 (0.50) | PTPN11TGFBR1MAP3K11LRRK2CYP3A4 | |
| SCHEMBL30280395 | 0.85 | PTPN11 (0.51) | PTPN11TGFBR1CA12CA1CA2 | |
| SCHEMBL721797 | 0.85 | PTPN11 (0.51) | PTPN11TGFBR1CA12CA1CA2 | |
| SCHEMBL720829 | 0.83 | TGFBR1 (0.41) | PTPN11TGFBR1CA12CA1CA2 | |
| SCHEMBL15165536 | 0.83 | PTPN11 (0.51) | PTPN11TGFBR1CA12CA1CA2 | |
| SCHEMBL7899740 | 0.83 | MAP3K11 (0.56) | PTPN11MAP3K11LRRK2 | |
| SCHEMBL11968502 | 0.83 | PTPN11 (0.44) | PTPN11TGFBR1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011149950-A2 | BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE | UNIVERSITY OF ROCHESTER (US) | 2011-12-01 | — | — | WO | disclosed |
| WO-2010068483-A2 | MLK INHIBITORS AND METHODS OF USE | UNIVERSITY OF ROCHESTER (US) | 2010-06-17 | — | — | WO | disclosed |