Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.62 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.62 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.62 |
| ▸ | HTR2A | P28223 | 1/20 | 0.62 |
| ▸ | HTR2C | P28335 | 1/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.62 |
| ▸ | HRH1 | P35367 | 1/20 | 0.62 |
| ▸ | DRD3 | P35462 | 1/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.62 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | GRIK1 | P39086 | 7/20 | 0.52 |
| ▸ | GRIK2 | Q13002 | 7/20 | 0.52 |
| ▸ | CPA1 | P15085 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.48 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.48 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 4-En-Metabolite SCHEMBL1000796 | 1.00 | CHRM1 (0.62) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL2081268 | 0.88 | CA2 (0.61) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL570260 | 0.88 | CA2 (0.61) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL8567555 | 0.86 | CA2 (0.59) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL9239263 | 0.86 | CA2 (0.53) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL584897 | 0.86 | CA2 (0.53) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL9237929 | 0.86 | CA2 (0.53) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL8572261 | 0.86 | CA2 (0.59) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL5363929 | 0.84 | CHRM1 (0.46) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL4940873 | 0.84 | GRIK1 (0.54) | GRIK1GRIK2CPA1SLC1A2SLC1A1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170190734-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | Selcia Ltd. (GB) | 2017-07-06 | — | — | US | disclosed |
| US-20170190734-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | Selcia Ltd. (GB) | 2017-07-06 | — | — | US | disclosed |
| US-9642889-B2 | Macrocyclic inhibitors of Flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2017-05-09 | — | — | US | disclosed |
| US-9642889-B2 | Macrocyclic inhibitors of Flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2017-05-09 | — | — | US | disclosed |
| US-20160220633-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | CYPRALIS LIMITED (GB) | 2016-08-04 | — | — | US | disclosed |
| US-20160220633-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | CYPRALIS LIMITED (GB) | 2016-08-04 | — | — | US | disclosed |
| US-20160039879-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2016-02-11 | — | — | US | disclosed |
| US-20160039879-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2016-02-11 | — | — | US | disclosed |
| US-20160039879-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2016-02-11 | — | — | US | disclosed |
| EP-2968445-A2 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | Su, Zhuang (US) | 2016-01-20 | — | — | EP | disclosed |
| US-20150361132-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | CYPRALIS LIMITED (GB) | 2015-12-17 | — | — | US | disclosed |
| US-20150361132-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | CYPRALIS LIMITED (GB) | 2015-12-17 | — | — | US | disclosed |
| US-9062092-B2 | Macrocyclic inhibitors of Flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2015-06-23 | — | — | US | disclosed |
| US-9062092-B2 | Macrocyclic inhibitors of Flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2015-06-23 | — | — | US | disclosed |
| WO-2014145686-A2 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | SU ZHUANG (US) | 2014-09-18 | — | — | WO | disclosed |
| WO-2014145686-A2 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | SU ZHUANG (US) | 2014-09-18 | — | — | WO | disclosed |
| EP-0659172-A1 | ANALOGUES OF VPA USED AS ANTI-EPILEPTICA. | NAU HEINZ (DE) | 1995-06-28 | — | — | EP | disclosed |
| WO-1994006743-A1 | ANALOGUES OF VPA USED AS ANTI-EPILEPTICA | NAU HEINZ (DE) | 1994-03-31 | — | — | 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 (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-20160220633-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | HAVCR2, ZC3HAV1, HCCS | CHRM1 4854/4885AKR1A1 1534/4885CHRM3 4823/4885 |
| US-20170190734-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | HAVCR2, ZC3HAV1, HCCS | CHRM1 4854/4885AKR1A1 1534/4885CHRM3 4823/4885 |
| US-20150361132-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | HAVCR2, ZC3HAV1, HCCS | CHRM1 4854/4885AKR1A1 1534/4885CHRM3 4823/4885 |
| US-20160039879-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | FKBP1B, MALT1, FKBP5 | CHRM1 4705/4885AKR1A1 2607/4885CHRM3 4527/4885 |
“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.