Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 5/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.45 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9547062 | 1.00 | GRIN1 (0.45) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL9185884 | 0.90 | CDK5 (0.42) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL8019796 | 0.88 | GRIN1 (0.43) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL4731758 | 0.86 | SRD5A2 (0.50) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL9647695 | 0.85 | SRD5A2 (0.46) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL16235951 | 0.85 | NR1I3 (0.41) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL9110720 | 0.84 | NR1I3 (0.48) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL15549709 | 0.84 | NR1I3 (0.48) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL9546857 | 0.83 | CDK5 (0.43) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL8764684 | 0.82 | GRIN1 (0.38) | GRIN1GRIN2BNR1I3 |
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-0880540-B1 | 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE | AVENTIS PHARMA INC (US) | 2002-06-12 | — | — | EP | disclosed |
| US-6365597-B1 | FOR THERAPY OF ANDROGEN AND ESTROGEN MEDIATED DISORDERS, INCLUDING BENIGN PROSTATIC HYPERPLASIA, ANDROGEN MEDIATED PROSTATE CANCER, ESTROGEN MEDIATED BREAST CANCER AND ACNE | AVENTIS PHARMACEUTICALS INC. | 2002-04-02 | — | — | US | disclosed |
| EP-0880540-A1 | 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE | HOECHST MARION ROUSSEL, INC. (US) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997030069-A1 | 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE | HOECHST MARION ROUSSEL, INC. (US) | 1997-08-21 | — | — | WO | disclosed |
| EP-0285383-A2 | Treatment of prostatic carcinoma with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones | MERCK & CO. INC. (US) | 1988-10-05 | — | — | EP | disclosed |
| EP-0285382-A2 | Treatment of androgenic alopecia with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones | MERCK & CO. INC. (US) | 1988-10-05 | — | — | EP | disclosed |