Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 7/20 | 0.74 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.74 |
| ▸ | PGR | P06401 | 3/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.74 |
| ▸ | HTR2B | P41595 | 1/20 | 0.74 |
| ▸ | LMNA | P02545 | 7/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.70 |
| ▸ | TSHR | P16473 | 4/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.70 |
| ▸ | AR | P10275 | 3/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.70 |
| ▸ | THRB | P10828 | 1/20 | 0.70 |
| ▸ | ESR1 | P03372 | 1/20 | 0.70 |
| ▸ | SERPINA6 | P08185 | 6/20 | 0.68 |
| ▸ | BLM | P54132 | 4/20 | 0.68 |
| ▸ | MAPT | P10636 | 2/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL571189 | 1.00 | SHBG (0.74) | SHBGNR3C1PGRALDH1A1ADRA1A | |
| SCHEMBL634733 | 1.00 | SHBG (0.74) | SHBGNR3C1PGRALDH1A1ADRA1A | |
| Topterone SCHEMBL140769 | 0.91 | SHBG (0.71) | SHBGNR3C1PGRALDH1A1ADRA1A | |
| Topterone SCHEMBL11730925 | 0.91 | SHBG (0.71) | SHBGNR3C1PGRALDH1A1ADRA1A | |
| Topterone SCHEMBL8846971 | 0.91 | SHBG (0.71) | SHBGNR3C1PGRALDH1A1ADRA1A | |
| Topterone SCHEMBL3844149 | 0.91 | SHBG (0.71) | SHBGNR3C1PGRALDH1A1ADRA1A | |
| SCHEMBL11728942 | 0.89 | SHBG (0.68) | SHBGNR3C1PGRALDH1A1ADRA1A | |
| SCHEMBL10393805 | 0.89 | SHBG (0.68) | SHBGNR3C1PGRALDH1A1ADRA1A | |
| SCHEMBL8236612 | 0.89 | SHBG (0.68) | SHBGNR3C1PGRALDH1A1ADRA1A | |
| SCHEMBL29437217 | 0.88 | SHBG (0.71) | SHBGNR3C1PGRALDH1A1ADRA1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009012955-A2 | PROCESS FOR THE PREPARATION OF DROSPIRENONE | NEWCHEM S.P.A. (IT) | 2009-01-29 | — | — | WO | disclosed |
| US-4859659-A | ACNE TREATMENT | SCHERING AKTIENGESELLSCHAFT (DE) | 1989-08-22 | — | — | US | disclosed |
| US-4160027-A | OXYTOCICS, 4A,5A-EPOXY-2A-CYANO-3-OXOSTEROIDES, STEROIDO(2,3-O)ISOOXAZOLES | STERLING DRUG INC. (US) | 1979-07-03 | — | — | US | disclosed |
| US-4039669-A | DERMATOLOGICAL CONDITIONS, ACNE, STEROIDS | STERLING DRUG INC. (US) | 1977-08-02 | — | — | US | disclosed |