Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL10304995 | 0.84 | BTK (0.41) | BTKRIPK2IRAK4ALOX5APKDR | |
| SCHEMBL15624594 | 0.77 | CYP11B2 (0.37) | BACE1 | |
| SCHEMBL3155981 | 0.74 | BTK (0.61) | BTKKDRGABRA1GABRG2GABRB3 | |
| SCHEMBL21484628 | 0.73 | ALDH1A1 (0.51) | BTKNPC1ALDH1A1RAB9A | |
| SCHEMBL13745852 | 0.71 | BTK (0.41) | BTKALOX5APGABRA1GABRG2GABRB3 | |
| SCHEMBL2184656 | 0.69 | RAB9A (0.49) | BTKRAB9A | |
| SCHEMBL15692562 | 0.68 | KDM4E (0.50) | TGFBR1NPC1ALDH1A1RAB9APDE10A | |
| SCHEMBL25902083 | 0.68 | BTK (0.41) | BTKALOX5APIDH1TGFBR1 | |
| SCHEMBL160602 | 0.67 | BTK (0.47) | BTKKDRNPC1ALDH1A1RAB9A | |
| SCHEMBL25027832 | 0.67 | BTK (0.46) | BTKKDRGABRA1GABRG2GABRB3 |
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-2252595-B1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2014-03-26 | — | — | EP | disclosed |