Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | SHBG | P04278 | 1/20 | 0.48 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.48 |
| ▸ | GUSB | P08236 | 1/20 | 0.48 |
| ▸ | G6PD | P11413 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7713246 | 0.89 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19TDP1TSHR | |
| SCHEMBL7713430 | 0.76 | CYP19A1 (0.50) | CYP3A4CYP2C9CYP2C19TDP1TSHR | |
| SCHEMBL7529519 | 0.76 | CYP19A1 (0.58) | CYP3A4TSHRLMNAPMP22MEN1 | |
| SCHEMBL3797856 | 0.76 | CYP19A1 (0.58) | CYP3A4TSHRLMNAPMP22MEN1 | |
| SCHEMBL10274355 | 0.74 | CYP19A1 (0.66) | CYP3A4TSHRLMNAPMP22MEN1 | |
| SCHEMBL7611395 | 0.72 | SRD5A1 (0.57) | CYP3A4CYP2C9CYP2C19TSHRLMNA | |
| SCHEMBL7611390 | 0.72 | SRD5A1 (0.57) | CYP3A4CYP2C9CYP2C19TSHRLMNA | |
| SCHEMBL8715293 | 0.71 | CYP19A1 (0.44) | CYP3A4LMNAPMP22MEN1SHBG | |
| SCHEMBL10934115 | 0.69 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19TDP1TSHR | |
| SCHEMBL10934103 | 0.69 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |