Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157280 | 0.85 | KDM4E (0.46) | KDM4ECYP2C9KMT2ATDP1ALDH1A1 | |
| SCHEMBL8579730 | 0.83 | KMT2A (0.49) | KDM4ECYP2C9KMT2ATDP1ALDH1A1 | |
| SCHEMBL20157276 | 0.72 | PKM (0.48) | KDM4ECYP2C9KMT2ATDP1ALDH1A1 | |
| SCHEMBL25664507 | 0.71 | GAA (0.57) | KDM4EKMT2ATDP1ALDH1A1HSD17B10 | |
| SCHEMBL20157331 | 0.70 | KDM4E (0.44) | KDM4ECYP2C9KMT2ATDP1ALDH1A1 | |
| SCHEMBL4431452 | 0.68 | HSD17B10 (0.47) | KDM4ECYP2C9KMT2ATDP1ALDH1A1 | |
| SCHEMBL10618549 | 0.68 | CYP4F2 (0.46) | KDM4ECYP2C9KMT2ATDP1ALDH1A1 | |
| SCHEMBL2167246 | 0.67 | NLRP3 (0.51) | KDM4EKMT2ATDP1ALDH1A1HSD17B10 | |
| SCHEMBL2167305 | 0.67 | NLRP3 (0.51) | KDM4EKMT2ATDP1ALDH1A1HSD17B10 | |
| SCHEMBL29122112 | 0.67 | NLRP3 (0.48) | KDM4ECYP2C9KMT2ATDP1ALDH1A1 |
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-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |