Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7880397 | 0.90 | KDM4E (0.48) | KDM4ELMNAMEN1KMT2AATM | |
| SCHEMBL16964041 | 0.84 | KMT2A (0.47) | KDM4ELMNAMEN1KMT2AATM | |
| SCHEMBL5252336 | 0.81 | KMT2A (0.60) | KDM4ELMNAMEN1KMT2AATM | |
| SCHEMBL29943508 | 0.81 | KMT2A (0.60) | KDM4ELMNAMEN1KMT2AATM | |
| SCHEMBL14999743 | 0.80 | LMNA (0.42) | KDM4ELMNAMEN1KMT2AATM | |
| SCHEMBL16964016 | 0.79 | KDM4E (0.43) | KDM4ELMNAMEN1KMT2ATDP1 | |
| SCHEMBL1429298 | 0.78 | AKR1B1 (0.55) | KDM4ELMNAMEN1KMT2AATM | |
| SCHEMBL7494802 | 0.77 | NLRP3 (0.42) | KDM4ELMNAMEN1KMT2AATM | |
| Ammonia Solution, Strong SCHEMBL27532390 | 0.77 | AKR1B1 (0.53) | KDM4ELMNAMEN1KMT2AATM | |
| SCHEMBL512637 | 0.75 | KMT2A (0.46) | KDM4EMEN1KMT2ATDP1ALDH1A1 |
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-106317024-A | Crizotinib intermediate, preparation method and crizotinib preparation method | 上海艾康睿医药科技有限公司 | 2017-01-11 | — | — | CN | disclosed |
| CN-106047950-A | Biological preparation method of (S)-1-(2,6-dichloro-3-fluorophenyl)ethanol | 尚科生物医药（上海）有限公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-103319311-B | The preparation method of Crizotinib intermediate (1S)-1-(the chloro-3-fluorophenyl of 2,6-bis-) ethanol | ZHEJIANG JIUZHOU PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2015-09-30 | — | — | CN | disclosed |