Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | LMNA | P02545 | 5/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157811 | 0.91 | SRD5A2 (0.36) | SRD5A2CA1CA2CA9UCHL1 | |
| SCHEMBL21354518 | 0.90 | CXCR2 (0.38) | CA1CA2CA9UCHL1MAPT | |
| SCHEMBL20157630 | 0.81 | CNR2 (0.36) | SRD5A2CA1CA2CA9UCHL1 | |
| SCHEMBL20157420 | 0.81 | CXCR2 (0.36) | CA1CA2CA9UCHL1MAPT | |
| SCHEMBL20157690 | 0.81 | SRD5A2 (0.37) | SRD5A2CA1CA2CA9UCHL1 | |
| SCHEMBL20158081 | 0.80 | TP53 (0.36) | UCHL1MAPTALDH1A1HTTTP53 | |
| SCHEMBL20157413 | 0.80 | UCHL1 (0.46) | CA2UCHL1KMT2AMAPTALDH1A1 | |
| SCHEMBL20157897 | 0.79 | SRD5A2 (0.36) | SRD5A2CA1CA2CA9UCHL1 | |
| SCHEMBL20157941 | 0.79 | CA1 (0.33) | CA1CA2CA9UCHL1 | |
| SCHEMBL20157794 | 0.78 | KLKB1 (0.34) | CA1CA2CA9UCHL1KMT2A |
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 |