Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | HPSE | Q9Y251 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | FOXO1 | Q12778 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21174661 | 0.84 | KDM4E (0.60) | KDM4ENPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL16148364 | 0.82 | KDM4E (0.57) | KDM4ENPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL16147328 | 0.80 | GAA (0.58) | KDM4ENPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL16147138 | 0.79 | KDM4E (0.54) | KDM4ENPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL21174655 | 0.79 | MMP2 (0.58) | KDM4ENPC1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL16147564 | 0.79 | KMT2A (0.54) | KDM4ENPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL16148536 | 0.79 | KMT2A (0.54) | KDM4ENPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL16148198 | 0.78 | SMN1; SMN2 (0.61) | KDM4ENPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL21174663 | 0.78 | CYP19A1 (0.57) | KDM4ENPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL16147963 | 0.77 | KDM4E (0.62) | KDM4ENPC1SMN1; SMN2ALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3514147-A1 | STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY | University of Maryland, Baltimore (US) | 2019-07-24 | — | — | EP | disclosed |