Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.38 |
| ▸ | MRGPRX1 | Q96LB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL13848473 | 0.91 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPK1PTK2BHPGD | |
| SCHEMBL13848410 | 0.87 | CYP17A1 (0.46) | PTGES2ALDH1A1KDM4EMAPK1PTK2B | |
| SCHEMBL4544247 | 0.84 | HSD17B10 (0.47) | ALDH1A1MAPK1PTK2BHPGDHSD17B10 | |
| SCHEMBL13848251 | 0.83 | PTGES2 (0.53) | PTGES2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL13848077 | 0.82 | CYP17A1 (0.49) | PTGES2ALDH1A1KDM4EMAPK1PTK2B | |
| SCHEMBL13848277 | 0.81 | PARP14 (0.46) | PTGES2HPGDHSD17B10CYP17A1PARP14 | |
| SCHEMBL13848266 | 0.80 | L3MBTL1 (0.54) | ALDH1A1KDM4EMAPK1HPGDCYP17A1 | |
| SCHEMBL13848445 | 0.75 | MRGPRX1 (0.43) | CYP17A1LPAR1MRGPRX1 | |
| SCHEMBL13848365 | 0.74 | ALDH1A1 (0.61) | ALDH1A1HSD17B10 | |
| SCHEMBL4544124 | 0.74 | CYP17A1 (0.48) | ALDH1A1MAPK1PTK2BHPGDCYP17A1 |
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-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |
| WO-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |