Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.52 |
| ▸ | AGXT | P21549 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 7/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4055238 | 0.83 | IDO1 (0.48) | IDO1AGXTMAOBTAAR1APP | |
| SCHEMBL11249728 | 0.79 | IDO1 (0.41) | IDO1AGXTMAOBAPPNR4A2 | |
| SCHEMBL8855401 | 0.79 | IDO1 (0.50) | IDO1TAAR1APPCA2 | |
| SCHEMBL742829 | 0.79 | ALDH1A1 (0.46) | MAOBAPPLOXL2CA2CA9 | |
| SCHEMBL17061042 | 0.77 | CYP3A4 (0.52) | IDO1APP | |
| SCHEMBL6020749 | 0.77 | CA2 (0.32) | CA2CA9 | |
| SCHEMBL17181662 | 0.77 | IDO1 (0.52) | IDO1AGXTMAOBTAAR1APP | |
| SCHEMBL9849327 | 0.77 | TRPA1 (0.39) | IDO1CA2CA9 | |
| SCHEMBL5432093 | 0.77 | AGXT (0.52) | IDO1AGXTMAOBTAAR1CA1 | |
| SCHEMBL2016123 | 0.77 | IDO1 (0.52) | IDO1MAOBTAAR1APPCA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020219718-A1 | SMALL MOLECULE AUTOPHAGY INDUCERS FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES | JOHN WAYNE CANCER INSTITUTE (US) | 2020-10-29 | — | — | WO | disclosed |
| CN-111801333-A | 10- (di (phenyl) methyl) -4-hydroxy-8, 9,9a, 10-tetrahydro-7H-pyrrolo [1',2':4,5] pyrazino [1,2-b ] pyridazine-3, 5-dione derivatives and related compounds as inhibitors of orthomyxovirus replication for the treatment of influenza | 诺华股份有限公司 | 2020-10-20 | — | — | CN | disclosed |
| CN-107078352-B | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2020-04-28 | — | — | CN | disclosed |
| WO-2009119880-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-01 | — | — | WO | disclosed |