Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PHF8 | Q9UPP1 | 3/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 5/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 4/20 | 0.44 |
| ▸ | KDM5A | P29375 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KDM4A | O75164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21430203 | 0.72 | PHF8 (0.58) | HPGDSCYP2E1CYP3A4CYP2D6CYP2A6 | |
| SCHEMBL21429720 | 0.72 | HPGDS (0.59) | HPGDSCYP2E1CYP3A4CYP2D6CYP2A6 | |
| SCHEMBL1346083 | 0.72 | HPGDS (0.77) | HPGDSCYP2E1CYP3A4CYP2D6CYP2A6 | |
| SCHEMBL19936854 | 0.70 | HPGDS (0.51) | HPGDSCYP2E1CYP3A4CYP2D6CYP2A6 | |
| SCHEMBL3758203 | 0.70 | KDM4E (0.52) | NPC1RAB9AMAPT | |
| SCHEMBL28714930 | 0.70 | HPGDS (0.64) | HPGDSCYP2E1CYP3A4CYP2D6CYP2A6 | |
| SCHEMBL19925217 | 0.68 | HPGDS (0.53) | HPGDSCYP2E1CYP3A4CYP2D6CYP2A6 | |
| SCHEMBL28702030 | 0.68 | HPGDS (0.65) | HPGDSCYP2E1CYP3A4CYP2D6CYP2A6 | |
| SCHEMBL2315630 | 0.68 | HPGDS (1.00) | HPGDSCYP2E1CYP3A4CYP2D6CYP2A6 | |
| SCHEMBL19078912 | 0.67 | MAPT (0.42) | MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014155300-A2 | SUBSTITUED PYRIMIDINE AMINE DERIVATIVES AS TAK-1 INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-10-02 | — | — | WO | disclosed |