Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25281666 | 1.00 | CYP2C19 (0.43) | CYP2C19HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL12506492 | 1.00 | CYP2C19 (0.43) | CYP2C19HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL6843354 | 1.00 | CYP2C19 (0.43) | CYP2C19HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL2289375 | 0.98 | — | — | |
| SCHEMBL1885262 | 0.90 | — | — | |
| SCHEMBL14478080 | 0.87 | CYP2C19 (0.52) | CYP2C19HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL6871500 | 0.87 | CYP2C19 (0.52) | CYP2C19HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL27822244 | 0.84 | CYP2C19 (0.55) | CYP2C19HDAC3HDAC4HDAC1HDAC2 | |
| Mercaptopropionic Acid SCHEMBL28079602 | 0.84 | HDAC11 (0.40) | CYP2C19HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL1879803 | 0.79 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6767903-B1 | ANTIANDROGEN THERAPY FOR PROSTATE CANCER | SCHERING AG (DE) | 2004-07-27 | — | — | US | claimed |
| EP-1140972-B1 | NEW 7-ALPHA, 17-ALPHA-BIS-ALKYLATED TESTOSTERONE DERIVATIVES AND THEIR USE IN LONG-TERM THERAPY OF ANDROGEN-DEPENDENT DISEASES | SCHERING AG (DE) | 2003-03-05 | — | — | EP | claimed |
| EP-1140972-A1 | NEW 7-ALPHA, 17-ALPHA-BIS-ALKYLATED TESTOSTERONE DERIVATIVES AND THEIR USE IN LONG-TERM THERAPY OF ANDROGEN-DEPENDENT DISEASES | Schering Aktiengesellschaft (DE) | 2001-10-10 | — | — | EP | claimed |
| WO-2000039148-A1 | NEW 7-ALPHA, 17-ALPHA-BIS-ALKYLATED TESTOSTERONE DERIVATIVES AND THEIR USE IN LONG-TERM THERAPY OF ANDROGEN-DEPENDENT DISEASES | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-07-06 | — | — | WO | claimed |
| US-6767903-B1 | ANTIANDROGEN THERAPY FOR PROSTATE CANCER | SCHERING AG (DE) | 2004-07-27 | — | — | US | disclosed |
| EP-1140972-B1 | NEW 7-ALPHA, 17-ALPHA-BIS-ALKYLATED TESTOSTERONE DERIVATIVES AND THEIR USE IN LONG-TERM THERAPY OF ANDROGEN-DEPENDENT DISEASES | SCHERING AG (DE) | 2003-03-05 | — | — | EP | disclosed |
| EP-1140972-A1 | NEW 7-ALPHA, 17-ALPHA-BIS-ALKYLATED TESTOSTERONE DERIVATIVES AND THEIR USE IN LONG-TERM THERAPY OF ANDROGEN-DEPENDENT DISEASES | Schering Aktiengesellschaft (DE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000039148-A1 | NEW 7-ALPHA, 17-ALPHA-BIS-ALKYLATED TESTOSTERONE DERIVATIVES AND THEIR USE IN LONG-TERM THERAPY OF ANDROGEN-DEPENDENT DISEASES | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-07-06 | — | — | WO | disclosed |