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 | 0.57 |
| ▸ | FOLH1 | Q04609 | 4/20 | 0.47 |
| ▸ | FOLR1 | P15328 | 6/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.44 |
| ▸ | MLNR | O43193 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
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 SCHEMBL17099468 | 1.00 | PTPN1 (0.57) | PTPN1FOLH1FOLR1HTR1ACHRM1 | |
| Water SCHEMBL30750796 | 1.00 | PTPN1 (0.57) | PTPN1FOLH1FOLR1HTR1ACHRM1 | |
| SCHEMBL15095695 | 0.99 | PTPN1 (0.57) | PTPN1FOLH1FOLR1HTR1ACHRM1 | |
| SCHEMBL18263260 | 0.99 | PTPN1 (0.57) | PTPN1FOLH1FOLR1HTR1ACHRM1 | |
| SCHEMBL18263258 | 0.99 | PTPN1 (0.57) | PTPN1FOLH1FOLR1HTR1ACHRM1 | |
| SCHEMBL24663017 | 0.96 | PTPN1 (0.54) | PTPN1FOLH1FOLR1HTR1ACHRM1 | |
| SCHEMBL17694083 | 0.96 | PTPN1 (0.54) | PTPN1FOLH1FOLR1HTR1ACHRM1 | |
| SCHEMBL16609775 | 0.96 | PTPN1 (0.53) | PTPN1FOLH1FOLR1HTR1ACHRM1 | |
| SCHEMBL24699840 | 0.96 | PTPN1 (0.58) | PTPN1FOLH1FOLR1HTR1ACHRM1 | |
| SCHEMBL9999876 | 0.95 | PTPN1 (0.53) | PTPN1FOLH1FOLR1HTR1ACHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3302577-B1 | OPTIMISED MULTIVALENT TARGETING FLUORESCENT TRACER | FLUOPTICS (FR) | 2019-06-26 | — | — | EP | claimed |
| US-20180140723-A1 | OPTIMISED MULTIVALENT TARGETING FLUORESCENT TRACER | FLUOPTICS (FR) | 2018-05-24 | — | — | US | claimed |
| EP-3120392-A1 | TRANSPARENT ENERGY-HARVESTING DEVICES | Board of Trustees of Michigan State University (US) | 2017-01-25 | — | — | EP | claimed |
| WO-2015143038-A1 | TRANSPARENT ENERGY-HARVESTING DEVICES | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2015-09-24 | — | — | WO | claimed |
| EP-3857276-A1 | TRANSPARENT LUMINESCENT SOLAR CONCENTRATOR | Board Of Trustees Of Michigan State University (US) | 2021-08-04 | — | — | EP | disclosed |
| US-10758631-B2 | Solid cyanine dyes | LI-COR, INC. (US) | 2020-09-01 | — | — | US | disclosed |
| WO-2020068670-A1 | TRANSPARENT LUMINESCENT SOLAR CONCENTRATOR | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2020-04-02 | — | — | WO | disclosed |
| EP-3609543-A1 | SOLID CYANINE DYES | LI-COR, INC. (US) | 2020-02-19 | — | — | EP | disclosed |
| US-20180296704-A1 | Solid Cyanine Dyes | LI-COR, INC. (US) | 2018-10-18 | — | — | US | disclosed |
| WO-2018191261-A1 | SOLID CYANINE DYES | LI-COR, INC. (US) | 2018-10-18 | — | — | WO | disclosed |
| US-20180140723-A1 | OPTIMISED MULTIVALENT TARGETING FLUORESCENT TRACER | FLUOPTICS (FR) | 2018-05-24 | — | — | US | disclosed |
| EP-3120392-A1 | TRANSPARENT ENERGY-HARVESTING DEVICES | Board of Trustees of Michigan State University (US) | 2017-01-25 | — | — | EP | disclosed |
| WO-2015143038-A1 | TRANSPARENT ENERGY-HARVESTING DEVICES | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2015-09-24 | — | — | WO | 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 (2 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-20180296704-A1 | Solid Cyanine Dyes | SULT1E1, IK, ALG3 | PTPN1 1528/4885FOLH1 1703/4885FOLR1 2359/4885 |
| US-10758631-B2 | Solid cyanine dyes | SULT1E1, IK, ALG3 | PTPN1 1528/4885FOLH1 1703/4885FOLR1 2359/4885 |
“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.