Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | EDNRA | P25101 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 2/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4985633 | 0.87 | MCL1 (0.54) | MCL1KDM4EALDH1A1GPR35LMNA | |
| SCHEMBL15232598 | 0.85 | LMNA (0.46) | MCL1KDM4EALDH1A1LMNAHTT | |
| SCHEMBL3603321 | 0.81 | BRAF (0.39) | KDM4EALDH1A1GPR35GAAL3MBTL1 | |
| SCHEMBL5620680 | 0.80 | MAPT (0.44) | KDM4EALDH1A1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL4859735 | 0.80 | ALDH1A1 (0.41) | KDM4EALDH1A1HTTGAAHPGD | |
| SCHEMBL20875245 | 0.80 | KDM5A (0.42) | MCL1MAPK1BRAFTDO2EIF2AK3 | |
| SCHEMBL442779 | 0.75 | MCL1 (0.60) | MCL1KDM4EALDH1A1GPR35LMNA | |
| SCHEMBL14793896 | 0.74 | TDO2 (0.44) | TDO2 | |
| Hydrochloric Acid SCHEMBL9789912 | 0.74 | MCL1 (0.58) | MCL1KDM4EALDH1A1GPR35LMNA | |
| SCHEMBL14228040 | 0.73 | IDO1 (0.64) | BRAFTDO2EIF2AK3 |
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-1940785-A2 | ACYCLIC 1,4-DIAMINES AND USES THEREOF | SmithKline Beecham Corporation (US) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007030761-A2 | ACYCLIC 1,4-DIAMINES AND USES THEREOF | SMITHKLINE BEECHAM CORPORATION (US) | 2007-03-15 | — | — | WO | disclosed |