Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11658516 | 0.87 | ALDH1A1 (0.52) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 | |
| SCHEMBL27420941 | 0.82 | ALDH1A1 (0.50) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 | |
| SCHEMBL7313368 | 0.80 | NR1I3 (0.65) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 | |
| SCHEMBL156890 | 0.80 | NR1I3 (0.65) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 | |
| SCHEMBL156889 | 0.80 | NR1I3 (0.65) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 | |
| SCHEMBL947528 | 0.76 | CDK5 (0.47) | NR1I3CYP19A1 | |
| SCHEMBL9172574 | 0.74 | GRIN1 (0.46) | CYP19A1 | |
| Sulfuric Acid SCHEMBL30504012 | 0.73 | ALDH1A1 (0.60) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 | |
| SCHEMBL27749414 | 0.71 | ALDH1A1 (0.57) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 | |
| SCHEMBL4754163 | 0.69 | KDM4E (0.59) | ALDH1A1NR1I3KDM4EMAPTCYP19A1 |
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-0149499-B1 | NOVEL DELTA4- AND DELTA5- ANDROSTENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES | AKZO N.V. (NL) | 1989-10-04 | — | — | EP | disclosed |
| US-4634694-A | Novel Δ4 - and Δ5 -androstene derivatives and pharmaceutical compositions containing these derivatives | AKZO N.V. (NL) | 1987-01-06 | — | — | US | disclosed |
| EP-0149499-A2 | Novel delta4- and delta5- androstene derivatives, processes for their preparation and pharmaceutical compositions containing these derivatives | AKZO N.V. (NL) | 1985-07-24 | — | — | EP | disclosed |