Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 18/20 | 0.65 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | MC4R | P32245 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | SCN1A | P35498 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL355488 | 0.85 | SIGMAR1 (0.47) | SIGMAR1ADRB2ADRB1SLC6A2SLC6A4 | |
| SCHEMBL354985 | 0.85 | OPRK1 (0.57) | SIGMAR1OPRK1CYP1A2CYP2C19 | |
| SCHEMBL353209 | 0.85 | SIGMAR1 (0.47) | SIGMAR1SLC6A4 | |
| SCHEMBL30384619 | 0.85 | SIGMAR1 (0.86) | SIGMAR1ADRB2ADRB1HTR1AADORA3 | |
| SCHEMBL354689 | 0.85 | SLC2A1 (0.54) | SIGMAR1ADRB2ADRB1TP53CYP1A2 | |
| SCHEMBL20689707 | 0.84 | SIGMAR1 (0.86) | SIGMAR1ADRB2ADRB1HTR1AADORA3 | |
| SCHEMBL20689714 | 0.84 | SIGMAR1 (0.86) | SIGMAR1ADRB2ADRB1HTR1AADORA3 | |
| SCHEMBL20689723 | 0.84 | SIGMAR1 (0.86) | SIGMAR1ADRB2ADRB1HTR1AADORA3 | |
| SCHEMBL356421 | 0.83 | SIGMAR1 (0.60) | SIGMAR1ADRB2 | |
| SCHEMBL352861 | 0.82 | SIGMAR1 (0.46) | SIGMAR1ADRB1HTR1AADORA3ADRA2B |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101597196-B | Improved drug candidate and preparation method thereof | JIYAKETA CO., LTD. (CH) | 2016-05-04 | — | — | CN | disclosed |
| EP-1646659-B1 | METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS | KIACTA S RL (CH) | 2014-05-14 | — | — | EP | disclosed |
| US-20110021813-A1 | PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | KONG XIANQI | 2011-01-27 | — | — | US | disclosed |
| CN-101597196-A | Improved drug candidate and preparation method thereof | BELLUS HEALTH INTERNAT LTD (CH) | 2009-12-09 | — | — | CN | disclosed |
| CN-100528840-C | Improved drug candidates and methods for their preparation | NEUROCHEM INTERNAT LTD (CH) | 2009-08-19 | — | — | CN | disclosed |
| US-20080027097-A1 | PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2008-01-31 | — | — | US | disclosed |
| US-7253306-B2 | Pharmaceutical drug candidates and methods for preparation thereof | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2007-08-07 | — | — | US | disclosed |
| CN-1839117-A | Improved drug candidates and methods for their preparation | NEUROCHEM INTERNAT LTD (CH) | 2006-09-27 | — | — | CN | disclosed |
| US-20050143462-A1 | Pharmaceutical drug candidates and methods for preparation thereof | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2005-06-30 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110021813-A1 | PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | MPST, TTR, STS | SIGMAR1 3298/4885ADRB2 3721/4885ADRB1 2161/4885 |
| US-20050143462-A1 | Pharmaceutical drug candidates and methods for preparation thereof | MPST, TTR, STS | SIGMAR1 3298/4885ADRB2 3721/4885ADRB1 2161/4885 |
| US-20080027097-A1 | PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | MPST, TTR, STS | SIGMAR1 3298/4885ADRB2 3721/4885ADRB1 2161/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.