Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | ACLY | P53396 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.51 |
| ▸ | CBR1 | P16152 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | STAT6 | P42226 | 7/20 | 0.35 |
| ▸ | SMAD3 | P84022 | 7/20 | 0.35 |
| ▸ | SMAD2 | Q15796 | 7/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18966859 | 0.81 | HSP90AB1 (0.50) | HSP90AB1HSP90AA1MAPTACLYGAA | |
| SCHEMBL10098854 | 0.80 | HSP90AB1 (0.70) | HSP90AB1HSP90AA1MAPTACLYGAA | |
| SCHEMBL2622305 | 0.78 | HSP90AB1 (0.76) | HSP90AB1HSP90AA1MAPTACLYGAA | |
| SCHEMBL19418358 | 0.77 | HSP90AB1 (0.71) | HSP90AB1HSP90AA1MAPTACLYGAA | |
| SCHEMBL10150174 | 0.76 | HSP90AB1 (0.66) | HSP90AB1HSP90AA1MAPTACLYGAA | |
| SCHEMBL19418377 | 0.75 | HSP90AB1 (0.55) | HSP90AB1HSP90AA1MAPTACLYGAA | |
| SCHEMBL13748257 | 0.73 | HSP90AB1 (0.66) | HSP90AB1HSP90AA1MAPTACLYGAA | |
| SCHEMBL14212853 | 0.73 | HSP90AB1 (0.66) | HSP90AB1HSP90AA1MAPTACLYGAA | |
| SCHEMBL10293251 | 0.71 | HSP90AB1 (0.70) | HSP90AB1HSP90AA1MAPTACLYGAA | |
| SCHEMBL19418322 | 0.71 | HSP90AB1 (0.70) | HSP90AB1HSP90AA1MAPTACLYGAA |
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-2020110056-A1 | COMPOUNDS USEFUL IN HIV THERAPY | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2020-06-04 | — | — | WO | disclosed |
| EP-3181564-B1 | AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS | HOFFMANN LA ROCHE (CH) | 2019-09-18 | — | — | EP | disclosed |