Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8823383 | 0.84 | MBOAT4 (0.48) | MBOAT4CYP19A1NR1I3SRD5A1GRIN1 | |
| SCHEMBL5109022 | 0.83 | MBOAT4 (0.51) | MBOAT4CYP19A1NR1I3SRD5A1GRIN1 | |
| SCHEMBL4807036 | 0.81 | MBOAT4 (0.47) | MBOAT4CYP19A1NR1I3SRD5A1GRIN1 | |
| SCHEMBL7643438 | 0.81 | MBOAT4 (0.47) | MBOAT4CYP19A1NR1I3SRD5A1GRIN1 | |
| SCHEMBL10698417 | 0.79 | MBOAT4 (0.45) | MBOAT4CYP19A1SRD5A1GRIN1GRIN2B | |
| SCHEMBL8536972 | 0.79 | MBOAT4 (0.39) | MBOAT4CYP19A1SRD5A1GRIN1GRIN2B | |
| SCHEMBL9134492 | 0.78 | MBOAT4 (0.40) | MBOAT4CYP19A1SRD5A1GRIN1GRIN2B | |
| SCHEMBL9618180 | 0.77 | SRD5A1 (0.44) | MBOAT4SRD5A1GRIN1GRIN2B | |
| SCHEMBL9580259 | 0.77 | SRD5A1 (0.45) | MBOAT4CYP19A1SRD5A1GRIN1GRIN2B | |
| SCHEMBL5580932 | 0.77 | MBOAT4 (0.41) | MBOAT4CYP19A1SRD5A1GRIN1GRIN2B |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5994362-A | ADMINISTERING FINASTERIDE AND CASODEX | MERCK & CO., INC. (US) | 1999-11-30 | — | — | US | disclosed |
| US-5753641-A | SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS | MERCK & CO., INC. (US) | 1998-05-19 | — | — | US | disclosed |
| US-5693809-A | PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER | MERCK & CO., INC. (US) | 1997-12-02 | — | — | US | disclosed |
| WO-1993023039-A1 | SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |
| WO-1992018132-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR | MERCK & CO., INC. (US) | 1992-10-29 | — | — | WO | disclosed |
| WO-1992016213-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN | MERCK & CO., INC. (US) | 1992-10-01 | — | — | WO | disclosed |
| WO-1992016233-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN | MERCK & CO., INC. (US) | 1992-10-01 | — | — | WO | disclosed |
| US-5098908-A | 17β-hydroxybenzoyl-4-aza-5α-androst-1-en-3-ones as testosterone reductase inhibitors | MERCK & CO., INC. (US) | 1992-03-24 | — | — | US | disclosed |
| EP-0462661-A2 | Novel 17beta-hydroxybenzoyl-4-aza-5alpha-androst-1-en-3-ones as testosterone reductase inhibitors | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |