Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | P4HB | P07237 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
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 | 0.87 | SRD5A2 (0.36) | CA1CA2CA9UCHL1 | |
| SCHEMBL20157630 | 0.86 | CNR2 (0.36) | CA1CA2CA9UCHL1 | |
| SCHEMBL20157420 | 0.86 | CXCR2 (0.36) | CA1CA2CA9UCHL1 | |
| SCHEMBL20157413 | 0.84 | UCHL1 (0.46) | CA2UCHL1 | |
| SCHEMBL20157482 | 0.79 | UCHL1 (0.38) | CA1CA2CA9UCHL1TAS1R3 | |
| SCHEMBL20157423 | 0.79 | SRD5A2 (0.36) | CA1CA2CA9UCHL1 | |
| SCHEMBL21352020 | 0.79 | UCHL1 (0.35) | UCHL1 | |
| SCHEMBL21352023 | 0.79 | ACHE (0.41) | UCHL1TAS1R3TAS1R1 | |
| SCHEMBL21362746 | 0.78 | TAS1R3 (0.35) | CA2PTGS1PTGS2TAS1R3TAS1R1 | |
| SCHEMBL21354518 | 0.78 | CXCR2 (0.38) | CA1CA2CA9UCHL1 |
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 |