Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | FOLR1 | P15328 | 6/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | PRMT1 | Q99873 | 3/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.46 |
| ▸ | HRH2 | P25021 | 3/20 | 0.46 |
| ▸ | MLNR | O43193 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL30750794 | 1.00 | PTPN1 (0.52) | PTPN1FOLR1HTR1APRMT1CHRM1 | |
| Water SCHEMBL5492460 | 1.00 | PTPN1 (0.52) | PTPN1FOLR1HTR1APRMT1CHRM1 | |
| SCHEMBL12891552 | 0.99 | PTPN1 (0.53) | PTPN1FOLR1HTR1APRMT1CHRM1 | |
| SCHEMBL14364022 | 0.99 | PTPN1 (0.53) | PTPN1FOLR1HTR1APRMT1CHRM1 | |
| SCHEMBL9101901 | 0.99 | PTPN1 (0.53) | PTPN1FOLR1HTR1APRMT1CHRM1 | |
| SCHEMBL9101895 | 0.99 | PTPN1 (0.53) | PTPN1FOLR1HTR1APRMT1CHRM1 | |
| SCHEMBL15026326 | 0.99 | PTPN1 (0.53) | PTPN1FOLR1HTR1APRMT1CHRM1 | |
| SCHEMBL15026323 | 0.96 | PTPN1 (0.51) | PTPN1FOLR1HTR1APRMT1CHRM1 | |
| SCHEMBL14666851 | 0.96 | PTPN1 (0.51) | PTPN1FOLR1HTR1APRMT1CHRM1 | |
| SCHEMBL12364521 | 0.96 | PTPN1 (0.51) | PTPN1FOLR1HTR1APRMT1CHRM1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7294370-B2 | Polarizing and optical compensating films for visible, ultraviolet and infrared parts of the electromagnetic spectrum | KENT STATE UNIVERSITY (US) | 2007-11-13 | — | — | US | claimed |
| US-20200237670-A1 | DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2020-07-30 | — | — | US | disclosed |
| US-20180021259-A1 | DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2018-01-25 | — | — | US | disclosed |
| US-8920673-B2 | Phosphonium-based ionic liquids and uses | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2014-12-30 | — | — | US | disclosed |
| US-20140065290-A1 | COMPOSITIONS AND METHODS OF USE FOR DETECTION AND IMAGING OF PRINTS BY SURFACE-ENHANCED SPECTROSCOPIC TECHNIQUES | UT-BATTELLE, LLC (US) | 2014-03-06 | — | — | US | disclosed |
| US-20130030282-A1 | SYNTHESIS AND CHARACTERIZATION OF NEAR IR FLUORESCENT MAGNETIC AND NON-MAGNETIC ALBUMIN NANOPARTICLES FOR BIOMEDICAL APPLICATIONS | BAR ILAN UNIVERSITY (IL) | 2013-01-31 | — | — | US | disclosed |
| US-20120138789-A1 | Phosphonium-Based Ionic Liquids and Uses | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2012-06-07 | — | — | US | disclosed |
| US-7294370-B2 | Polarizing and optical compensating films for visible, ultraviolet and infrared parts of the electromagnetic spectrum | KENT STATE UNIVERSITY (US) | 2007-11-13 | — | — | 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 (4 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-20200237670-A1 | DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE | TP53, SCNN1B, HCCS | PTPN1 158/4885FOLR1 1224/4885HTR1A 4082/4885 |
| US-20180021259-A1 | DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE | TP53, HCCS, SCNN1B | PTPN1 137/4885FOLR1 1189/4885HTR1A 4397/4885 |
| US-20130030282-A1 | SYNTHESIS AND CHARACTERIZATION OF NEAR IR FLUORESCENT MAGNETIC AND NON-MAGNETIC ALBUMIN NANOPARTICLES FOR BIOMEDICAL APPLICATIONS | ALB, MB, IK | PTPN1 1573/4885FOLR1 32/4885HTR1A 4758/4885 |
| US-20120138789-A1 | Phosphonium-Based Ionic Liquids and Uses | SRMS, PHOSPHO1, TRMT1L | PTPN1 3380/4885FOLR1 4234/4885HTR1A 4680/4885 |
“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.