Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 5/20 | 0.82 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.52 |
| ▸ | PGR | P06401 | 2/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.52 |
| ▸ | HTR2B | P41595 | 2/20 | 0.52 |
| ▸ | AR | P10275 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.50 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8340653 | 1.00 | SHBG (0.82) | SHBGCYP19A1ALDH1A1NR3C1PGR | |
| Bolasterone SCHEMBL4945157 | 0.90 | SHBG (1.00) | SHBGCYP19A1ALDH1A1NR3C1PGR | |
| Bolasterone SCHEMBL10904938 | 0.90 | SHBG (1.00) | SHBGCYP19A1ALDH1A1NR3C1PGR | |
| Bolasterone SCHEMBL11876760 | 0.90 | SHBG (1.00) | SHBGCYP19A1ALDH1A1NR3C1PGR | |
| Calusterone SCHEMBL4509 | 0.90 | SHBG (1.00) | SHBGCYP19A1ALDH1A1NR3C1PGR | |
| Bolasterone SCHEMBL145066 | 0.90 | SHBG (1.00) | SHBGCYP19A1ALDH1A1NR3C1PGR | |
| Bolasterone SCHEMBL5656551 | 0.90 | SHBG (1.00) | SHBGCYP19A1ALDH1A1NR3C1PGR | |
| SCHEMBL5700143 | 0.86 | SHBG (0.76) | SHBGCYP19A1ALDH1A1NR3C1PGR | |
| SCHEMBL5700149 | 0.86 | SHBG (0.76) | SHBGCYP19A1ALDH1A1NR3C1PGR | |
| SCHEMBL9126706 | 0.85 | SHBG (0.74) | SHBGCYP19A1ALDH1A1NR3C1PGR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5990328-A | FORMING 4-NITRO-3-KETOSTEROIDS WHICH BY NITRATION OF THE CORRESPONDING 3,5-DIENOLATE, REDUCTION OF 4-NITRO-3-KETOSTEROID FORMS 4-AMINO-3-KETOSTEROID | MERRELL PHARMACEUTICALS INC. (US) | 1999-11-23 | — | — | US | disclosed |
| US-5965550-A | INHIBITING STEROID C17-20 LYASE BY ADMINISTERING A 4-NITRO STEROID INHIBITORY COMPOUND OF GIVEN FORMULA, SUCH AS 17B-CYCLOPROPYLOXY-4-NITROANDROST-4-EN-3-ONE; INHIBITS FORMATION OF BOTH ANDROGENIC AND ESTROGENIC STEROIDS | MERRELL PHARMACEUTICALS INC. (US) | 1999-10-12 | — | — | US | disclosed |
| US-5869475-A | Certain 3-ketosteroids used to inhibit steroid 5α-reductase | MERRELL PHARMACEUTICALS, INC. (US) | 1999-02-09 | — | — | US | disclosed |
| EP-0758340-B1 | PROCESS FOR THE PREPARATION OF 4-AMINO-DELTA 4-3-KETOSTEROIDS VIA 4-NITRO-DELTA 4-3-KETOSTEROIDS | MERRELL PHARMA INC (US) | 1999-01-07 | — | — | EP | disclosed |
| US-5750744-A | ENZYME INHIBITORS | MERRELL PHARMACEUTICALS INC. (US) | 1998-05-12 | — | — | US | disclosed |
| EP-0758340-A1 | PROCESS FOR THE PREPARATION OF 4-AMINO-DELTA 4-3-KETOSTEROIDS VIA 4-NITRO-DELTA 4-3-KETOSTEROIDS | MERRELL PHARMACEUTICALS INC. (US) | 1997-02-19 | — | — | EP | disclosed |
| WO-1995029932-A1 | PROCESS FOR THE PREPARATION OF 4-AMINO-Δ4-3-KETOSTEROIDS VIA 4-NITRO-Δ4-3-KETOSTEROIDS | MERRELL PHARMACEUTICALS INC. (US) | 1995-11-09 | — | — | WO | disclosed |