Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | MMP8 | P22894 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16148105 | 0.86 | PIM1 (0.47) | PIM1PIM3AURKBALDH1A1KDM4E | |
| SCHEMBL16147923 | 0.85 | NPC1 (0.46) | PIM1PIM3AURKBALDH1A1KDM4E | |
| SCHEMBL16148685 | 0.85 | PIM1 (0.40) | PIM1PIM3AURKBALDH1A1KDM4E | |
| SCHEMBL21174659 | 0.83 | KDM4E (0.53) | PIM1PIM3AURKBALDH1A1KDM4E | |
| SCHEMBL16148357 | 0.83 | PIM1 (0.42) | PIM1PIM3AURKBALDH1A1KDM4E | |
| SCHEMBL16147347 | 0.83 | PIM1 (0.44) | PIM1PIM3AURKBALDH1A1KDM4E | |
| SCHEMBL16147390 | 0.81 | SMN1; SMN2 (0.50) | PIM1PIM3AURKBALDH1A1KDM4E | |
| SCHEMBL16148268 | 0.80 | PIM1 (0.42) | PIM1PIM3AURKBALDH1A1KDM4E | |
| SCHEMBL16147482 | 0.79 | PIM1 (0.43) | PIM1PIM3AURKBALDH1A1KDM4E | |
| SCHEMBL16148299 | 0.77 | KMT2A (0.43) | PIM1PIM3AURKBALDH1A1KDM4E |
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-2991644-A2 | NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY | University of Maryland, Baltimore (US) | 2016-03-09 | — | — | EP | disclosed |
| WO-2014165815-A2 | NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2014-10-09 | — | — | WO | disclosed |