Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4710 | 0.85 | — | — | |
| SCHEMBL1551 | 0.85 | — | — | |
| Benzene SCHEMBL22288204 | 0.85 | TAAR1 (0.48) | CES2CES1ALDH1A1KDM4ELMNA | |
| SCHEMBL14127281 | 0.85 | — | — | |
| SCHEMBL3728 | 0.85 | — | — | |
| Iodide SCHEMBL27892619 | 0.83 | TAAR1 (0.46) | CES2CES1ALDH1A1KDM4ELMNA | |
| SCHEMBL11031524 | 0.83 | TAAR1 (0.46) | CES2CES1ALDH1A1KDM4ELMNA | |
| Bromide SCHEMBL28665198 | 0.83 | TAAR1 (0.46) | CES2CES1ALDH1A1KDM4ELMNA | |
| SCHEMBL3226267 | 0.83 | TAAR1 (0.46) | CES2CES1ALDH1A1KDM4ELMNA | |
| Isopropylbenzene SCHEMBL1416132 | 0.81 | ALDH1A1 (0.44) | ALDH1A1TDP1HSD17B10KDM4EGMNN |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104903291-A | Benzyl sulfonamide derivatives as RORc modulators | HOFFMANN LA ROCHE | 2015-09-09 | — | — | CN | disclosed |
| CN-102264704-B | Isoquinoline derivative | TAISHO PHARMACEUTICAL CO LTD | 2014-06-04 | — | — | CN | disclosed |
| CN-103827117-A | Tetrahydrotriazolopyrimidine derivatives as human neutrophil elastase inhibitors | CHIESI FARMA SPA | 2014-05-28 | — | — | CN | disclosed |
| CN-101268070-B | Novel sulphonylpyrroles as inhibitors of HDAC novel sulphonylpyrroles | NYCOMED GMBH | 2012-09-05 | — | — | CN | disclosed |
| CN-102329267-A | 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists | LILLY CO ELI | 2012-01-25 | — | — | CN | disclosed |
| CN-102311387-A | 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists | LILLY CO ELI | 2012-01-11 | — | — | CN | disclosed |
| CN-102282143-A | Heterocyclically substituted aryl compounds and application thereof | — | 2011-12-14 | — | — | CN | disclosed |
| CN-102264704-A | Isoquinoline derivative | — | 2011-11-30 | — | — | CN | disclosed |
| CN-102056905-A | Novel uracil compound having human deoxyuridine triphosphatase inhibitory activity or salt thereof | TAIHO PHARMACEUTICAL CO LTD | 2011-05-11 | — | — | CN | disclosed |
| CN-1918155-B | Compounds and compositions as LXR modulators | IRM LLC | 2010-05-26 | — | — | CN | disclosed |
| CN-101287706-A | Sulphonylpyrrole hydrochloride salts as histone deacetylases inhibitors | NYCOMED GMBH (DE) | 2008-10-15 | — | — | CN | disclosed |
| CN-101268070-A | Novel sulphonylpyrroles as inhibitors of HDAC novel sulphonylpyrroles | NYCOMED GMBH (DE) | 2008-09-17 | — | — | CN | disclosed |
| CN-1934088-A | As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * | LILLY CO ELI (US) | 2007-03-21 | — | — | CN | disclosed |
| CN-1918155-A | Compounds and compositions as lxr modulators | IRM LLC (BM) | 2007-02-21 | — | — | CN | disclosed |
| CN-1290254-A | Sulfonamide derivatives process for producing the same and utilization thereof | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-04-04 | — | — | CN | disclosed |
| CN-1080923-A | Benzo pyridone and pyridopyridine ketone that Sulphonylbenzyl replaces | BAYER AG (DE) | 1994-01-19 | — | — | CN | disclosed |
| CN-1077710-A | The imidazoles that Sulphonylbenzyl replaces | BAYED AG (DE) | 1993-10-27 | — | — | CN | disclosed |
| CN-1077195-A | The imidazopyridine that has replaced Sulphonylbenzyl | BAYER AG (DE) | 1993-10-13 | — | — | CN | disclosed |
| US-5203982-A | Electrodialysis | IONICS, INCORPORATED (US) | 1993-04-20 | — | — | US | disclosed |