Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2491376 | 0.86 | GABRA1 (0.35) | GABRA1GABRG2GABRB3GABRB2LMNA | |
| SCHEMBL298310 | 0.79 | CXCL8 (0.39) | LMNACYP3A4HPGDPTGS1HIF1A | |
| SCHEMBL30381967 | 0.75 | GABRA1 (0.57) | GABRA1GABRG2GABRB3GABRB2LMNA | |
| SCHEMBL4657600 | 0.75 | GABRA1 (0.57) | GABRA1GABRG2GABRB3GABRB2LMNA | |
| SCHEMBL21654552 | 0.74 | GABRA1 (0.39) | GABRA1GABRG2GABRB3GABRB2LMNA | |
| SCHEMBL386156 | 0.74 | CYP1A2 (0.55) | CYP1A2CA1CA2CYP3A4HPGD | |
| SCHEMBL15452868 | 0.72 | — | — | |
| SCHEMBL8313416 | 0.72 | IDO1 (0.43) | CA2 | |
| SCHEMBL11551016 | 0.72 | MCHR1 (0.36) | CYP1A2CA1CA2HTR2C | |
| SCHEMBL2318595 | 0.72 | CYP1A2 (0.32) | CYP1A2CYP2A6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107085033-A | N phenylnaphthalenes aminated compounds as MALDI matrix application | 中国科学院化学研究所 | 2017-08-22 | — | — | CN | disclosed |
| EP-0733626-B1 | N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists | MERCK PATENT GMBH (DE) | 1999-01-13 | — | — | EP | disclosed |
| US-5726194-A | Endothelin receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-03-10 | — | — | US | disclosed |
| CN-1141919-A | Endotheliomycine receptor antagonist | MOOK PATENT AG (DE) | 1997-02-05 | — | — | CN | disclosed |
| EP-0733626-A1 | N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists | MERCK PATENT GmbH (DE) | 1996-09-25 | — | — | EP | disclosed |