Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.54 |
| ▸ | AR | P10275 | 6/20 | 0.52 |
| ▸ | PGR | P06401 | 5/20 | 0.52 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14200096 | 1.00 | CYP17A1 (0.54) | CYP17A1ARPGRNR3C2MAPT | |
| SCHEMBL29519614 | 1.00 | CYP17A1 (0.54) | CYP17A1ARPGRNR3C2MAPT | |
| SCHEMBL3750546 | 1.00 | CYP17A1 (0.54) | CYP17A1ARPGRNR3C2MAPT | |
| SCHEMBL13139936 | 1.00 | CYP17A1 (0.54) | CYP17A1ARPGRNR3C2MAPT | |
| SCHEMBL17302786 | 1.00 | CYP17A1 (0.54) | CYP17A1ARPGRNR3C2MAPT | |
| SCHEMBL13397495 | 1.00 | CYP17A1 (0.54) | CYP17A1ARPGRNR3C2MAPT | |
| SCHEMBL8843324 | 1.00 | CYP17A1 (0.54) | CYP17A1ARPGRNR3C2MAPT | |
| SCHEMBL12101456 | 1.00 | CYP17A1 (0.54) | CYP17A1ARPGRNR3C2MAPT | |
| SCHEMBL11747587 | 0.89 | AR (0.48) | CYP17A1ARPGRNR3C2MAPT | |
| SCHEMBL24711581 | 0.86 | MAPT (0.49) | CYP17A1ARPGRNR3C2MAPT |
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-2015181116-A1 | PROCESS AND INTERMEDIADES FOR THE PREPARATION OF 7-ALKYLATED STEROIDS | CRYSTAL PHARMA, S.A.U. (ES) | 2015-12-03 | — | — | WO | disclosed |
| EP-1436256-B1 | PREPARATION PROCESS OF SOME HALOGENO-SUBSTITUTED MONOSULFIDES AND THEIR HYDROXY-MONOSULFIDE OR ISOTHIOURONIUM BROMIDE EQUIVALENTS AS INTERMEDIATES | ASTRAZENECA AB (SE) | 2011-08-10 | — | — | EP | disclosed |