Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | BRCA1 | P38398 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7088951 | 0.87 | CYP3A4 (0.49) | CYP3A4ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL5176015 | 0.86 | FTO (0.51) | CYP3A4ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL5532838 | 0.81 | NPC1 (0.44) | CYP3A4ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL1524853 | 0.75 | PRKCA (0.47) | CYP3A4ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL7864064 | 0.75 | FTO (0.55) | CYP3A4ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL658739 | 0.73 | CYP3A4 (0.40) | CYP3A4ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL7542402 | 0.73 | CYP3A4 (0.61) | CYP3A4ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL8757874 | 0.73 | FTO (0.41) | CYP3A4ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL10709421 | 0.72 | CYP3A4 (0.41) | CYP3A4ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL10749245 | 0.72 | FTO (0.43) | CYP3A4ALDH1A1MEN1MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1853619-A4 | NOVEL C-17-HETEROARYL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS: SYNTHESIS, IN VITRO BIOLOGICAL ACTIVITIES, PHARMACOKINETICS AND ANTITUMOR ACTIVITY | UNIV MARYLAND (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1853619-A1 | NOVEL C-17-HETEROARYL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS: SYNTHESIS, IN VITRO BIOLOGICAL ACTIVITIES, PHARMACOKINETICS AND ANTITUMOR ACTIVITY | University of Maryland (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006093993-A1 | NOVEL C-17-HETEROARYL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS: SYNTHESIS, IN VITRO BIOLOGICAL ACTIVITIES, PHARMACOKINETICS AND ANTITUMOR ACTIVITY | UNIVERSITY OF MARYLAND (US) | 2006-09-08 | — | — | WO | disclosed |