Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | ROS1 | P08922 | 2/20 | 0.43 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13188787 | 0.89 | SMN1; SMN2 (0.43) | ROS1ALKCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3714572 | 0.87 | P2RY12 (0.46) | AURKAROS1ALKGAACYP1A2 | |
| SCHEMBL3717846 | 0.87 | GSK3B (0.51) | ALDH1A1WNT1DYRK1A | |
| SCHEMBL3720383 | 0.87 | AURKA (0.46) | AURKAEIF2AK2PIK3CAPIK3CBKMT2A | |
| SCHEMBL3716106 | 0.86 | CYP3A4 (0.44) | GAAPIK3CAPIK3CBCYP1A2CYP3A4 | |
| SCHEMBL3712071 | 0.85 | GAA (0.46) | GAASMN1; SMN2ACACBDYRK1A | |
| SCHEMBL3715411 | 0.84 | CYP19A1 (0.41) | GAACYP1A2CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL3714505 | 0.82 | PIK3CA (0.48) | PIK3CAPIK3CBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3711499 | 0.82 | CYP19A1 (0.40) | ALDH1A1ACACB | |
| SCHEMBL3711421 | 0.81 | CYP19A1 (0.39) | ALDH1A1SYKDYRK1A |
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-2010100475-A1 | HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2010-09-10 | — | — | WO | disclosed |
| WO-2010100475-A1 | HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2010-09-10 | — | — | WO | disclosed |