Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.50 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.50 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MLYCD | O95822 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28060869 | 0.84 | PDK1 (0.43) | KDM4ELMNAALOX12PDK1PDK2 | |
| SCHEMBL28333323 | 0.81 | KMT2A (0.53) | KDM4ELMNAPOLBCASP6TDP1 | |
| SCHEMBL2763507 | 0.79 | KMT2A (0.54) | KDM4ELMNAPOLBALDH1A1GAA | |
| SCHEMBL28090565 | 0.78 | LMNA (0.49) | LMNAPDK1PDK2PDK3PDK4 | |
| SCHEMBL28044065 | 0.78 | HDAC1 (0.42) | LMNAALDH1A1HSD17B10 | |
| SCHEMBL28832949 | 0.78 | PDK1 (0.51) | KDM4ELMNAALOX12PDK1PDK2 | |
| SCHEMBL28090478 | 0.78 | PDK1 (0.46) | LMNAPDK1PDK2PDK3PDK4 | |
| SCHEMBL1030263 | 0.77 | LMNA (0.74) | KDM4ELMNAALOX12PDK1PDK2 | |
| SCHEMBL28316834 | 0.77 | ALDH1A1 (0.49) | KDM4ELMNAALOX12POLBALDH1A1 | |
| SCHEMBL28876956 | 0.75 | POLB (0.49) | KDM4ELMNAPOLBTDP1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104703976-B | Double (fluoroalkyls) 1,4 benzodiazepine * assimilation compound is used as NOTCH inhibitor | 百时美施贵宝公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-103214482-B | Imidazo [1,2-a] pyridine compounds as receptor tyrosine kinase inhibitors | 阵列生物制药公司 | 2016-06-29 | — | — | CN | disclosed |
| CN-104703976-A | Bis(fluoroalkyl)-1,4-benzodiazepinone compounds as notch inhibitors | BRISTOL MYERS SQUIBB CO | 2015-06-10 | — | — | CN | disclosed |