Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.45 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7788657 | 1.00 | CDK5 (0.45) | CDK5CDK5R1NR1I3SRD5A1GRIN1 | |
| SCHEMBL5007912 | 0.84 | SRD5A1 (0.57) | SRD5A1SRD5A2 | |
| SCHEMBL5007914 | 0.84 | SRD5A1 (0.57) | SRD5A1SRD5A2 | |
| SCHEMBL7596381 | 0.84 | SRD5A1 (0.57) | SRD5A1SRD5A2 | |
| SCHEMBL9352124 | 0.84 | SRD5A1 (0.57) | SRD5A1SRD5A2 | |
| SCHEMBL8721495 | 0.84 | SRD5A1 (0.57) | SRD5A1SRD5A2 | |
| SCHEMBL9393886 | 0.75 | CDK5 (0.44) | CDK5CDK5R1NR1I3SRD5A1GRIN1 | |
| SCHEMBL994646 | 0.74 | CDK5 (0.49) | CDK5CDK5R1NR1I3GRIN1GRIN2B | |
| SCHEMBL536894 | 0.74 | CDK5 (0.49) | CDK5CDK5R1NR1I3GRIN1GRIN2B | |
| SCHEMBL994647 | 0.74 | CDK5 (0.49) | CDK5CDK5R1NR1I3GRIN1GRIN2B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0799239-B1 | DIASTEREOMERICALLY PURE 3-OXO AND 3-THIOXO-4-AZA-ANDROSTAN DERIVATIVES AND THE USE THEREOF AS ANTIANDROGENS | POLICHEM SA (LU) | 2001-10-31 | — | — | EP | disclosed |
| US-6147213-A | Diastereomerically pure 3-oxo and 3-thioxo-4-aza-androstan derivatives and the use thereof as antiandrogens | POLICHEM S.A. (LU) | 2000-11-14 | — | — | US | disclosed |
| US-6147213-A | Diastereomerically pure 3-oxo and 3-thioxo-4-aza-androstan derivatives and the use thereof as antiandrogens | POLICHEM S.A. (LU) | 2000-11-14 | — | — | US | disclosed |
| EP-0799239-A2 | DIASTEREOMERICALLY PURE 3-OXO AND 3-THIOXO-4-AZA-ANDROSTAN DERIVATIVES AND THE USE THEREOF AS ANTIANDROGENS | POLI INDUSTRIA CHIMICA S.p.A. (IT) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996020210-A2 | DIASTEREOMERICALLY PURE 3-OXO AND 3-THIOXO-4-AZA-ANDROSTAN DERIVATIVES AND THE USE THEREOF AS ANTIANDROGENS | POLI INDUSTRIA CHIMICA S.P.A. (IT) | 1996-07-04 | — | — | WO | disclosed |
| WO-1994013691-A1 | THIO- AND OXO-AZASTEROIDS, PROCESSES FOR THE PREPARATION THEREOF, USE THEREOF AS ANTIANDROGENS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | POLI INDUSTRIA CHIMICA S.P.A. (IT) | 1994-06-23 | — | — | WO | disclosed |