Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 6/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ATP4A | P20648 | 2/20 | 0.37 |
| ▸ | ATP4B | P51164 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.36 |
| ▸ | RELA | Q04206 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL15624618 | 0.88 | MEN1 (0.48) | ALDH1A1KDM4ECYP1A1CYP1B1MEN1 | |
| SCHEMBL10305108 | 0.82 | CYP1A1 (0.42) | ALDH1A1KDM4ECYP1A1CYP1B1MEN1 | |
| SCHEMBL15624577 | 0.77 | HSP90AA1 (0.47) | ALDH1A1KDM4ECYP1A1CYP1B1MEN1 | |
| SCHEMBL8893338 | 0.75 | ALDH1A1 (0.65) | ALDH1A1KDM4ECYP1A1CYP1B1MEN1 | |
| SCHEMBL10305055 | 0.71 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP1A1CYP1B1MEN1 | |
| SCHEMBL3712788 | 0.69 | MAPK8 (0.39) | ALDH1A1KDM4EMEN1KMT2ARAB9A | |
| SCHEMBL14758368 | 0.69 | PDGFRB (0.45) | ALDH1A1KDM4EMEN1KMT2ARAB9A | |
| SCHEMBL10304993 | 0.68 | MEN1 (0.51) | ALDH1A1KDM4ECYP1A1CYP1B1MEN1 | |
| SCHEMBL7684369 | 0.68 | ALDH1A1 (0.60) | ALDH1A1KDM4ECYP1A1CYP1B1MEN1 | |
| SCHEMBL15624619 | 0.67 | CYP1A1 (0.44) | ALDH1A1KDM4ECYP1A1CYP1B1MEN1 |
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-2252595-B1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2014-03-26 | — | — | EP | disclosed |