Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | G6PD | P11413 | 3/20 | 0.64 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | SHBG | P04278 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL19330943 | 1.00 | G6PD (0.64) | G6PDSERPINA6LMNAGPBAR1CYP1A2 | |
| SCHEMBL16431616 | 1.00 | G6PD (0.64) | G6PDSERPINA6LMNAGPBAR1CYP1A2 | |
| SCHEMBL598321 | 1.00 | G6PD (0.64) | G6PDSERPINA6LMNAGPBAR1CYP1A2 | |
| SCHEMBL1324961 | 0.93 | G6PD (0.61) | G6PDSERPINA6LMNAGPBAR1CYP1A2 | |
| SCHEMBL1324964 | 0.93 | G6PD (0.61) | G6PDSERPINA6LMNAGPBAR1CYP1A2 | |
| SCHEMBL16225749 | 0.90 | G6PD (0.67) | G6PDSERPINA6LMNAGPBAR1CYP1A2 | |
| SCHEMBL1869871 | 0.90 | G6PD (0.67) | G6PDSERPINA6LMNAGPBAR1CYP1A2 | |
| SCHEMBL9436439 | 0.90 | G6PD (0.67) | G6PDSERPINA6LMNAGPBAR1CYP1A2 | |
| SCHEMBL16226634 | 0.90 | G6PD (0.67) | G6PDSERPINA6LMNAGPBAR1CYP1A2 | |
| SCHEMBL4934329 | 0.90 | G6PD (0.67) | G6PDSERPINA6LMNAGPBAR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8114860-B2 | 3beta-hydroxy-5alpha/beta-pregnan - steroids antagonism against 3alpha-hydroxy-5alpha-pregnan-20-one; enhanced GABA mediated chloride flux but with low GABA antagonism, pregnanes with an acetate group in 3 or in 3, 20 and 21 position partially inhibit GABA's own effect on the GABA mediated chloride flux | UMECRINE AB (SE) | 2012-02-14 | — | — | US | disclosed |