Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | RXRG | P48443 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21352255 | 0.91 | CES2 (0.34) | KMT2A | |
| SCHEMBL20157811 | 0.86 | SRD5A2 (0.36) | KMT2AALDH1A1UCHL1TP53LMNA | |
| SCHEMBL20157420 | 0.83 | CXCR2 (0.36) | ALDH1A1UCHL1TP53LMNAPOLB | |
| SCHEMBL21352090 | 0.82 | PYGL (0.34) | ALDH1A1UCHL1LMNA | |
| SCHEMBL20157956 | 0.80 | UCHL1 (0.34) | ALDH1A1UCHL1 | |
| SCHEMBL21352020 | 0.79 | UCHL1 (0.35) | UCHL1POLB | |
| SCHEMBL21352023 | 0.79 | ACHE (0.41) | KMT2AALDH1A1UCHL1LMNA | |
| SCHEMBL20157630 | 0.79 | CNR2 (0.36) | KMT2AALDH1A1UCHL1LMNAPOLB | |
| SCHEMBL21354509 | 0.78 | UCHL1 (0.39) | ALDH1A1UCHL1POLBCA1CA2 | |
| SCHEMBL20158071 | 0.78 | KMT2A (0.36) | KMT2AALDH1A1LOXL2TP53LMNA |
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 |