Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.59 |
| ▸ | TACR2 | P21452 | 2/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | SHBG | P04278 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.59 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | TST | Q16762 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL5541630 | 0.98 | ESR1 (0.63) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL5485032 | 0.98 | ESR1 (0.63) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL11384092 | 0.98 | ESR1 (0.63) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL959408 | 0.93 | CA2 (0.54) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL10568240 | 0.87 | ESR1 (0.73) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL181089 | 0.87 | ESR1 (0.73) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL23849704 | 0.85 | ESR1 (0.77) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL4037557 | 0.85 | ESR1 (0.77) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL6684861 | 0.85 | ESR1 (0.77) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL10571467 | 0.85 | ESR1 (0.77) | ESR1ADRA2AADORA3TACR2SLC6A2 |
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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1155001-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2003-05-28 | — | — | EP | claimed |
| US-6417195-B1 | LIBRARIES AND COMBINATORIAL CHEMISTRY | LION BIOSCIENCE AG (DE) | 2002-07-09 | — | — | US | claimed |
| EP-1155001-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | claimed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | claimed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | claimed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | claimed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | claimed |
| CN-102532162-B | 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles | OTSUKA PHARMA CO LTD | 2015-05-27 | — | — | CN | disclosed |
| US-8426626-B2 | Compound having asymmetric carbon atom, oxidation-reduction reaction causing portion, and liquid crystal substituent | FUJIFILM CORPORATION (JP) | 2013-04-23 | — | — | US | disclosed |
| EP-2570418-A2 | 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-03-20 | — | — | EP | disclosed |
| US-8361567-B2 | Liquid crystal composition, liquid crystal device, reflective display material, and light modulating material | FUJIFILM CORPORATION (JP) | 2013-01-29 | — | — | US | disclosed |
| EP-1555267-B1 | 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES | OTSUKA PHARMA CO LTD (JP) | 2013-01-16 | — | — | EP | disclosed |
| US-8052896-B2 | Nanocarbon film and producing method thereof | FUJIFILM CORPORATION (JP) | 2011-11-08 | — | — | US | disclosed |
| EP-1155001-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | disclosed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | disclosed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | disclosed |