Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.56 |
| ▸ | IDO1 | P14902 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | AGXT | P21549 | 2/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6644269 | 0.94 | MAOB (0.53) | PYCR1IDO1CA12CA1CA2 | |
| SCHEMBL15543961 | 0.89 | APP (0.61) | PYCR1IDO1AGXTALDH1A1SMN1; SMN2 | |
| SCHEMBL28344356 | 0.81 | ST14 (0.43) | PYCR1LTA4HALDH1A1CYP3A4TSHR | |
| SCHEMBL28304802 | 0.81 | IDO1 (0.56) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL11461245 | 0.78 | TAAR1 (0.55) | PYCR1IDO1CA12CA1CA2 | |
| SCHEMBL5248003 | 0.78 | NQO1 (0.58) | CA12CA1CA2CA7CA9 | |
| 1,4-Dimethoxybenzene SCHEMBL27368038 | 0.78 | CA1 (0.58) | PYCR1IDO1CA12CA1CA2 | |
| SCHEMBL8677251 | 0.77 | MIF (0.57) | IDO1CA12CA1CA2CA7 | |
| 3-Methoxyphenylacetonitrile SCHEMBL103029 | 0.77 | PKM (0.61) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL5906635 | 0.77 | IDO1 (0.52) | IDO1CA12CA1CA2CA7 |
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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646124-B | Method for catalytically synthesizing 1, 3-diacetylene compound by using carboxymethyl cellulose/nano copper in supercritical carbon dioxide | 河南师范大学 | 2020-03-10 | — | — | CN | claimed |
| EP-2029614-B1 | COLD MENTHOL RECEPTOR-1 ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2013-01-23 | — | — | EP | claimed |
| EP-1853595-A1 | (1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXADIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS | Sanofi-Aventis (FR) | 2007-11-14 | — | — | EP | claimed |
| EP-1476438-B1 | OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS | VERNALIS R&D LTD (GB) | 2007-04-18 | — | — | EP | claimed |
| EP-1079819-B1 | HYDROXAMIC ACID DERIVATIVES AS ANTIBACTERIALS | VERNALIS OXFORD LTD (GB) | 2006-12-06 | — | — | EP | claimed |
| WO-2006087480-A1 | (1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXADIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS | SANOFI-AVENTIS (FR) | 2006-08-24 | — | — | WO | claimed |
| EP-0934292-B1 | METALLOPROTEINASE INHIBITORS | VERNALIS OXFORD LTD (GB) | 2006-03-15 | — | — | EP | claimed |
| EP-1146867-B1 | ANTIBACTERIAL HYDROXAMIC ACID DERIVATIVES | VERNALIS OXFORD LTD (GB) | 2005-07-20 | — | — | EP | claimed |
| EP-1339400-B1 | N-FORMYL HYDROXYLAMINE DERIVATIVES AS INHIBITORS OF BACTERIAL POLYPEPTIDE DEFORMYLASE FOR TREATING MICROBIAL INFECTIONS | VERNALIS OXFORD LTD (GB) | 2005-06-29 | — | — | EP | claimed |
| EP-1165532-B1 | ANTIBACTERIAL AGENTS | VERNALIS OXFORD LTD (GB) | 2005-01-12 | — | — | EP | claimed |
| EP-0873304-B1 | METALLOPROTEINASE INHIBITORS | BRITISH BIOTECH PHARM (GB) | 2001-09-05 | — | — | EP | claimed |
| EP-0777646-B1 | METALLOPROTEINASE INHIBITORS | BRITISH BIOTECH PHARM (GB) | 2001-09-05 | — | — | EP | claimed |
| EP-0821666-B1 | DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITORS | BRITISH BIOTECH PHARM (GB) | 2000-12-27 | — | — | EP | claimed |
| EP-0821668-B1 | DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITOR | BRITISH BIOTECH PHARM (GB) | 2000-08-23 | — | — | EP | claimed |
| EP-0874799-B1 | PREPARATION OF ALLYL SUCCINATE DERIVATIVES AND STARTING MATERIALS THEREFOR | BRITISH BIOTECH PHARM (GB) | 2000-05-31 | — | — | EP | claimed |
| EP-0740655-B1 | METALLOPROTEINASE INHIBITORS | BRITISH BIOTECH PHARM (GB) | 1999-10-20 | — | — | EP | claimed |
| EP-0584223-B1 | NOVEL IMMUNOSUPPRESSIVE COMPOUNDS | VERTEX PHARMA (US) | 1999-08-11 | — | — | EP | claimed |
| EP-0827507-B1 | PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES | BOEHRINGER INGELHEIM CA LTD (CA) | 1999-06-16 | — | — | EP | claimed |
| EP-0700383-B1 | NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS | SYNTEX INC (US) | 1998-09-23 | — | — | EP | claimed |
| EP-0740652-B1 | METALLOPROTEINASE INHIBITORS | BRITISH BIOTECH PHARM (GB) | 1998-05-06 | — | — | EP | claimed |