Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.49 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | RECQL | P46063 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9850289 | 1.00 | SMN1; SMN2 (0.56) | SMN1; SMN2CYP3A4MAPTTP53ESR1 | |
| SCHEMBL8959390 | 0.90 | CYP3A4 (0.54) | SMN1; SMN2CYP3A4MAPTTP53ESR1 | |
| SCHEMBL8959356 | 0.88 | SMN1; SMN2 (0.58) | SMN1; SMN2CYP3A4MAPTTP53ESR1 | |
| SCHEMBL9193105 | 0.82 | CYP3A4 (0.38) | SMN1; SMN2CYP3A4MAPTTP53ESR1 | |
| SCHEMBL9145265 | 0.80 | SMN1; SMN2 (0.56) | SMN1; SMN2CYP3A4MAPTTP53ESR1 | |
| SCHEMBL8959363 | 0.80 | SMN1; SMN2 (0.56) | SMN1; SMN2CYP3A4MAPTTP53ESR1 | |
| SCHEMBL9283651 | 0.80 | ESR1 (0.47) | SMN1; SMN2CYP3A4MAPTTP53ESR1 | |
| SCHEMBL8959380 | 0.80 | SMN1; SMN2 (0.57) | SMN1; SMN2CYP3A4MAPTTP53ESR1 | |
| SCHEMBL8959334 | 0.80 | SMN1; SMN2 (0.57) | SMN1; SMN2CYP3A4MAPTTP53ESR1 | |
| SCHEMBL8959387 | 0.78 | SMN1; SMN2 (0.58) | SMN1; SMN2CYP3A4MAPTTP53ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5529993-A | UROGENITAL DISORDERS; CONTRACEPTIVES | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-06-25 | — | — | US | disclosed |
| EP-0430386-B1 | 14Alpha, 17alpha bridged 16-hydroxyestratrienes | SCHERING AG (DE) | 1995-05-03 | — | — | EP | disclosed |
| EP-0430386-A1 | 14Alpha, 17alpha bridged 16-hydroxyestratrienes | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-06-05 | — | — | EP | disclosed |