Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.35 |
| ▸ | CCR3 | P51677 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14979455 | 0.84 | TDP1 (0.46) | KDM4EALDH1A1L3MBTL1HDAC1SMN1; SMN2 | |
| SCHEMBL14979364 | 0.84 | KDM4E (0.44) | KDM4EALDH1A1L3MBTL1HDAC1GAA | |
| SCHEMBL14979456 | 0.83 | HDAC1 (0.41) | ALDH1A1HDAC1TSHR | |
| SCHEMBL4023510 | 0.74 | PRKACA (0.58) | KDM4EALDH1A1L3MBTL1LMNAHDAC1 | |
| SCHEMBL14979304 | 0.73 | KDM4E (0.46) | KDM4EALDH1A1L3MBTL1HDAC1SMN1; SMN2 | |
| SCHEMBL14979454 | 0.72 | HDAC1 (0.42) | KDM4EALDH1A1HDAC1SMN1; SMN2HRH1 | |
| SCHEMBL4321291 | 0.69 | KDM4E (0.48) | KDM4EALDH1A1 | |
| SCHEMBL3249653 | 0.68 | SLC6A2 (0.63) | HSP90AA1HSP90AB1 | |
| SCHEMBL19692630 | 0.68 | ATF4 (0.59) | ALDH1A1LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4156097 | 0.68 | KDM4E (0.47) | KDM4EALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8450348-B2 | Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects | FORMA TM, LLC (US) | 2013-05-28 | — | — | US | disclosed |