Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 16/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.48 |
| ▸ | SHBG | P04278 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11522842 | 1.00 | CYP19A1 (0.51) | CYP19A1ALDH1A1NR3C1SHBGPGR | |
| SCHEMBL10416740 | 0.86 | CYP19A1 (0.69) | CYP19A1CYP3A4TSHRTHPOHIF1A | |
| SCHEMBL10416738 | 0.86 | CYP19A1 (0.69) | CYP19A1CYP3A4TSHRTHPOHIF1A | |
| SCHEMBL9127331 | 0.85 | SHBG (0.53) | CYP19A1ALDH1A1NR3C1SHBGPGR | |
| SCHEMBL9127322 | 0.85 | SHBG (0.53) | CYP19A1ALDH1A1NR3C1SHBGPGR | |
| SCHEMBL9541910 | 0.85 | CYP19A1 (0.40) | CYP19A1ALDH1A1NR3C1SHBGPGR | |
| SCHEMBL9541167 | 0.85 | CYP19A1 (0.40) | CYP19A1ALDH1A1NR3C1SHBGPGR | |
| SCHEMBL9541916 | 0.85 | CYP19A1 (0.40) | CYP19A1ALDH1A1NR3C1SHBGPGR | |
| SCHEMBL9541172 | 0.85 | CYP19A1 (0.40) | CYP19A1ALDH1A1NR3C1SHBGPGR | |
| SCHEMBL9125323 | 0.85 | CYP19A1 (0.46) | CYP19A1CYP3A4TSHRTHPOHIF1A |
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-4160027-A | OXYTOCICS, 4A,5A-EPOXY-2A-CYANO-3-OXOSTEROIDES, STEROIDO(2,3-O)ISOOXAZOLES | STERLING DRUG INC. (US) | 1979-07-03 | — | — | US | disclosed |