Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 4/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 3/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.37 |
| ▸ | RORC | P51449 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19385670 | 1.00 | LIG1 (0.41) | LIG1PTGS2KDM1ARCOR1HSD11B1 | |
| SCHEMBL27993793 | 0.86 | MAPK1 (0.44) | KDM1A | |
| SCHEMBL19385696 | 0.85 | KDM1A (0.44) | KDM1ARCOR1 | |
| SCHEMBL22781292 | 0.85 | KDM1A (0.39) | KDM1AALDH1A1LMNACYP2C9TSHR | |
| SCHEMBL26328251 | 0.85 | KDM1A (0.39) | KDM1AALDH1A1LMNACYP2C9TSHR | |
| SCHEMBL23550006 | 0.85 | KDM1A (0.39) | KDM1AALDH1A1LMNACYP2C9TSHR | |
| SCHEMBL19385753 | 0.85 | KDM1A (0.44) | KDM1ARCOR1 | |
| SCHEMBL19385697 | 0.85 | KDM1A (0.44) | KDM1ARCOR1 | |
| SCHEMBL19403665 | 0.78 | OPRM1 (0.42) | KDM1ARCOR1RORCTDP1LMNA | |
| SCHEMBL23550051 | 0.78 | KDM1A (0.41) | LIG1KDM1ARCOR1RORCALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3433239-A1 | SMALL MOLECULE INHIBITOR OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER | University of Pittsburgh- Of the Commonwealth System of Higher Education (US) | 2019-01-30 | — | — | EP | disclosed |
| WO-2017165822-A1 | SMALL MOLECULE INHIBITOR OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2017-09-28 | — | — | WO | disclosed |