Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | MIF | P14174 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | KYNU | Q16719 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL28218568 | 0.91 | ADRB1 (0.43) | ADRB1ADRA1AMIFHTR2AHTR2B | |
| SCHEMBL27608520 | 0.84 | CYP3A4 (0.49) | ADRB1ADRA1AMIFHTR2AHTR2B | |
| SCHEMBL3424145 | 0.83 | PARP1 (0.46) | LMNAPARP1CYP3A4HCAR2 | |
| SCHEMBL17844752 | 0.81 | ADRA1D (0.47) | ADRB1PARP1ADRB2ADRB3 | |
| SCHEMBL515036 | 0.81 | PARP1 (0.44) | PARP1NFKB1RAB9AGAAHCAR2 | |
| SCHEMBL24729465 | 0.81 | ADRA1D (0.47) | ADRB1PARP1ADRB2ADRB3 | |
| SCHEMBL29927069 | 0.81 | ADRA1D (0.47) | ADRB1PARP1ADRB2ADRB3 | |
| SCHEMBL27795851 | 0.81 | HDAC4 (0.46) | KDM4EPARP1SLC6A4 | |
| SCHEMBL28804126 | 0.80 | L3MBTL1 (0.57) | PARP1 | |
| SCHEMBL28804124 | 0.80 | L3MBTL1 (0.57) | PARP1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118878497-A | Coumarin derivative containing amide bond and preparation method and application thereof | 宁波大学 | 2024-11-01 | — | — | CN | claimed |
| CN-118878497-A | Coumarin derivative containing amide bond and preparation method and application thereof | 宁波大学 | 2024-11-01 | — | — | CN | disclosed |
| CN-115477634-B | Analgesic compounds and medical uses thereof | 中国人民解放军军事科学院军事医学研究院 | 2024-02-13 | — | — | CN | disclosed |
| CN-116981672-A | Macrocyclic compounds as CFTR modulators | 爱杜西亚药品有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-115477634-A | Compound for analgesia and medical application thereof | 中国人民解放军军事科学院军事医学研究院 | 2022-12-16 | — | — | CN | disclosed |
| WO-2010108059-A1 | SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR | INCYTE CORPORATION (US) | 2010-09-23 | — | — | WO | disclosed |
| US-RE38723-E1 | Haloalkyl derivatives of reporter molecules used to analyze metabolic activity in cells | MOLECULAR PROBES, INC. (US) | 2005-04-12 | — | — | US | disclosed |
| EP-0603266-B1 | USE OF HALOALKYL DERIVATIVES OF REPORTER MOLECULES TO ANALYZE METABOLIC ACTIVITY IN CELLS | MOLECULAR PROBES INC (US) | 1999-05-12 | — | — | EP | disclosed |
| EP-0603266-A4 | USE OF HALOALKYL DERIVATIVES OF REPORTER MOLECULES TO ANALYZE METABOLIC ACTIVITY IN CELLS. | MOLECULAR PROBES INC (US) | 1997-01-15 | — | — | EP | disclosed |
| US-5576424-A | ANALYZING METABOLIC ACTIVITY OF ENZYMES | MOLECULAR PROBES, INC. (US) | 1996-11-19 | — | — | US | disclosed |
| US-5362628-A | Analyzing | MOLECULAR PROBES, INC. (US) | 1994-11-08 | — | — | US | disclosed |
| EP-0603266-A1 | USE OF HALOALKYL DERIVATIVES OF REPORTER MOLECULES TO ANALYZE METABOLIC ACTIVITY IN CELLS | MOLECULAR PROBES, INC. (US) | 1994-06-29 | — | — | EP | disclosed |
| WO-1993004192-A1 | USE OF HALOALKYL DERIVATIVES OF REPORTER MOLECULES TO ANALYZE METABOLIC ACTIVITY IN CELLS | MOLECULAR PROBES, INC. (US) | 1993-03-04 | — | — | WO | disclosed |