Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.59 |
| ▸ | RAB9A | P51151 | 6/20 | 0.59 |
| ▸ | NPC1 | O15118 | 6/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | PIM1 | P11309 | 1/20 | 0.52 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 4/20 | 0.47 |
| ▸ | MMP9 | P14780 | 4/20 | 0.47 |
| ▸ | MMP8 | P22894 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16147226 | 0.89 | KDM4E (0.65) | KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1 | |
| SCHEMBL16147717 | 0.85 | KDM4E (0.62) | KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1 | |
| SCHEMBL16148198 | 0.82 | SMN1; SMN2 (0.61) | KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1 | |
| SCHEMBL16147138 | 0.82 | KDM4E (0.54) | KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1 | |
| SCHEMBL16147869 | 0.81 | KDM4E (0.63) | KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1 | |
| SCHEMBL16147779 | 0.81 | NPC1 (0.60) | KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1 | |
| SCHEMBL16148431 | 0.79 | SMN1; SMN2 (0.65) | KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1 | |
| SCHEMBL21174661 | 0.78 | KDM4E (0.60) | KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1 | |
| SCHEMBL3338846 | 0.78 | KDM4E (0.61) | KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1 | |
| SCHEMBL1269573 | 0.77 | KLK1 (0.61) | KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1 |
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 |