Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | STK10 | O94804 | 2/20 | 0.41 |
| ▸ | SLK | Q9H2G2 | 2/20 | 0.41 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.40 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | F2R | P25116 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1821928 | 0.77 | CYP19A1 (0.47) | PGRCYP11B2CYP11B1CYP17A1STK10 | |
| SCHEMBL29809001 | 0.69 | CYP11B2 (0.71) | CYP11B2CYP11B1CYP17A1NEK1CHRNB2 | |
| SCHEMBL13537172 | 0.69 | CYP11B2 (0.71) | CYP11B2CYP11B1CYP17A1NEK1CHRNB2 | |
| SCHEMBL2376622 | 0.68 | CHRNB2 (0.39) | CYP11B2CYP11B1CYP17A1NEK1FLT3 | |
| SCHEMBL2376620 | 0.68 | CHRNB2 (0.39) | CYP11B2CYP11B1CYP17A1NEK1FLT3 | |
| SCHEMBL3921199 | 0.63 | MAOB (0.51) | PGRKDM1ACREBBPCLK4 | |
| SCHEMBL1822896 | 0.62 | CYP19A1 (0.44) | PGRCYP3A4CLK4 | |
| SCHEMBL13297269 | 0.62 | PGR (0.48) | PGRCREBBPSLC22A12CLK4 | |
| SCHEMBL1805616 | 0.62 | CHEK1 (0.44) | PGRCHRNB2CHRNA4CREBBPSLC22A12 | |
| SCHEMBL1805619 | 0.62 | CHEK1 (0.44) | PGRCHRNB2CHRNA4CREBBPSLC22A12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2324032-B1 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS INC (US) | 2014-10-01 | — | — | EP | disclosed |