Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL14979454 | 0.90 | HDAC1 (0.42) | KDM4EMEN1KMT2AHDAC1TSHR | |
| SCHEMBL14979364 | 0.88 | KDM4E (0.44) | KDM4EMEN1KMT2AHDAC1TSHR | |
| SCHEMBL14979455 | 0.80 | TDP1 (0.46) | KDM4EMEN1KMT2AHDAC1TSHR | |
| SCHEMBL14979456 | 0.77 | HDAC1 (0.41) | HDAC1TSHRALDH1A1 | |
| SCHEMBL14979305 | 0.73 | KDM4E (0.38) | KDM4EHDAC1TSHRATML3MBTL1 | |
| SCHEMBL14979306 | 0.72 | FES (0.51) | MEN1KMT2ACHEK1 | |
| SCHEMBL4026381 | 0.68 | PRKACA (0.58) | HDAC1MAPKAPK2CHEK1CHEK2 | |
| SCHEMBL24171954 | 0.66 | ITK (0.52) | BRD4CDK2CHEK1SMN1; SMN2 | |
| SCHEMBL12622443 | 0.66 | KDM1A (0.60) | CHEK2 | |
| SCHEMBL4028515 | 0.65 | HDAC1 (0.47) | HDAC1TSHRCHEK1CHEK2SMN1; 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 |