Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.46 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13848077 | 0.91 | CYP17A1 (0.49) | CYP17A1BRD4ALDH1A1MAPK1PTK2B | |
| SCHEMBL13848369 | 0.83 | FYN (0.48) | CYP17A1BRD4MAPK1 | |
| SCHEMBL13848473 | 0.81 | ALDH1A1 (0.54) | CYP17A1ALDH1A1MAPK1PTK2BKMT2A | |
| SCHEMBL13848412 | 0.81 | BRD4 (0.51) | BRD4ALDH1A1PTGER1SYKKMT2A | |
| SCHEMBL13848370 | 0.77 | TCF4 (0.49) | BRD4ALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL27316536 | 0.74 | P2RX3 (0.53) | MAPTPGRHPGD | |
| SCHEMBL4068635 | 0.74 | PTGES2 (0.46) | CYP17A1BRD4ALDH1A1MAPK1PTK2B | |
| SCHEMBL13848092 | 0.72 | ALDH1A1 (0.55) | CYP17A1BRD4ALDH1A1PTGER1AR | |
| SCHEMBL4544247 | 0.69 | HSD17B10 (0.47) | CYP17A1BRD4ALDH1A1MAPK1PTK2B | |
| SCHEMBL13848079 | 0.69 | MAPK1 (0.48) | ALDH1A1MAPK1KMT2AMEN1LMNA |
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 |