Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.38 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL13848084 | 0.99 | TSHR (0.46) | TSHRHRH3HSP90AA1HSP90AB1PDK1 | |
| SCHEMBL13848453 | 0.93 | KDM4E (0.45) | TSHRHRH3HSP90AA1NPC1TP53 | |
| SCHEMBL13848378 | 0.93 | RAB9A (0.47) | TSHRHRH3HSP90AA1HSP90AB1PDK1 | |
| SCHEMBL13848454 | 0.93 | NPC1 (0.44) | TSHRHRH3HSP90AA1MEN1NPC1 | |
| SCHEMBL4065754 | 0.86 | MEN1 (0.41) | HRH3HSP90AA1HSP90AB1PDK1S1PR1 | |
| SCHEMBL4062041 | 0.86 | MEN1 (0.43) | HRH3HSP90AA1HSP90AB1PDK1HSP90B1 | |
| SCHEMBL13848416 | 0.84 | TLR7 (0.39) | HRH3S1PR1NPC1TP53HPGD | |
| SCHEMBL13848375 | 0.83 | MAPT (0.35) | MEN1KMT2A | |
| SCHEMBL13848418 | 0.83 | CYP19A1 (0.42) | KMT2ASMN1; SMN2 | |
| SCHEMBL13848091 | 0.83 | IDO1 (0.39) | HSP90AA1HSP90AB1MEN1NPC1HPGD |
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-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |