Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1010013 | 0.84 | HSP90AA1 (0.41) | HSP90AA1GAAKMT2ANPC1RAB9A | |
| SCHEMBL5490550 | 0.81 | ALDH1A1 (0.43) | SMN1; SMN2GAAKMT2AMEN1ACHE | |
| SCHEMBL485191 | 0.80 | HSP90AA1 (0.44) | HSP90AA1SMN1; SMN2KMT2ANPC1RAB9A | |
| SCHEMBL4684702 | 0.80 | ACHE (0.45) | SMN1; SMN2GAAKMT2AMEN1HTT | |
| SCHEMBL1011525 | 0.79 | HSP90AA1 (0.38) | HSP90AA1GAAKMT2ANPC1RAB9A | |
| SCHEMBL6989802 | 0.77 | AKR1C3 (0.44) | SMN1; SMN2GAAKMT2AACHECA1 | |
| SCHEMBL5493143 | 0.76 | TSHR (0.40) | SMN1; SMN2GAAKMT2AACHECA1 | |
| SCHEMBL1010564 | 0.76 | DPP4 (0.44) | HSP90AA1GAAKMT2AMEN1HTT | |
| SCHEMBL4070600 | 0.73 | BCHE (0.52) | GAAKMT2AMEN1ACHENPSR1 | |
| SCHEMBL22365701 | 0.72 | TYR (0.65) | ACHENPSR1ALDH1A1TDP1BLM |
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 |
|---|---|---|---|---|---|---|---|
| EP-2268626-A1 | 5-ARYL-4-(5-SUBSTITUTED 2,4-DIHYDROXYPHENYL)-1,2,3-THIADIAZOLES AS INHIBITORS OF HSP90 CHAPERONE AND THE INTERMEDIATES FOR PRODUCTION THEREOF | Biotechnologijos Institutas (LT) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009134110-A1 | 5-ARYL-4-(5-SUBSTITUTED 2,4-DIHYDROXYPHENYL)-1,2,3-THIADIAZOLES AS INHIBITORS OF HSP90 CHAPERONE AND THE INTERMEDIATES FOR PRODUCTION THEREOF | BIOTECHNOLOGIJOS INSTITUTAS (LT) | 2009-11-05 | — | — | WO | disclosed |