Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.45 |
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | AR | P10275 | 3/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 8/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7861591 | 0.89 | CYP2C19 (0.46) | CYP2C19ESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL7861149 | 0.87 | ESR1 (0.42) | CYP2C19ESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL7854625 | 0.85 | PGR (0.58) | CYP2C19ESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL7861567 | 0.85 | ESR1 (0.60) | CYP2C19ESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL7859913 | 0.80 | PGR (0.56) | CYP2C19ESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL7861152 | 0.80 | PGR (0.48) | CYP2C19CHRM2SLC6A2SLC6A4PGR | |
| SCHEMBL7854422 | 0.80 | PGR (0.48) | CYP2C19CHRM2SLC6A2SLC6A4PGR | |
| SCHEMBL7854433 | 0.76 | PGR (0.49) | CYP2C19ESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL7860091 | 0.75 | PGR (0.46) | CYP2C19ESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL7862390 | 0.74 | PGR (0.45) | CYP2C19ESR1CHRM2SLC6A2SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0709394-B1 | Steroids with a 17-spiromethylene lactone or lactol group | AKZO NOBEL NV (NL) | 2001-01-31 | — | — | EP | disclosed |
| US-5741786-A | PROGESTATIONAL ACTIVITY, USED AS CONTRACEPTIVES | AKZO NOBEL N.V. (NL) | 1998-04-21 | — | — | US | disclosed |
| EP-0709394-A2 | Steroids with a 17-spiromethylene lactone or lactol group | Akzo Nobel N.V. (NL) | 1996-05-01 | — | — | EP | disclosed |