Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KIT | P10721 | 3/20 | 0.40 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.40 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 5/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3719624 | 0.91 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19KIT | |
| SCHEMBL3710083 | 0.90 | KIT (0.42) | CYP3A4CYP2D6KITPRKD1PRKD2 | |
| SCHEMBL13188438 | 0.87 | PIM1 (0.43) | KITHIF1AEPAS1ABL1HDAC1 | |
| SCHEMBL13188819 | 0.86 | P4HTM (0.43) | KITHIF1AEPAS1GSK3BDYRK1A | |
| SCHEMBL13188807 | 0.85 | HIF1A (0.42) | KITHIF1AEPAS1GSK3BHDAC1 | |
| SCHEMBL13188606 | 0.85 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL13188522 | 0.85 | HIF1A (0.56) | KITHIF1AEPAS1ALKHDAC1 | |
| SCHEMBL13188362 | 0.84 | HDAC6 (0.44) | PRKD1PRKD2HIF1AEPAS1GRM5 | |
| SCHEMBL3713490 | 0.83 | HDAC6 (0.45) | PRKD1PRKD2HIF1AEPAS1GRM5 | |
| SCHEMBL3719717 | 0.83 | MAPT (0.41) | HIF1AEPAS1HDAC1 |
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-2010100475-A1 | HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2010-09-10 | — | — | WO | disclosed |