Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | BAD | Q92934 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | TPMT | P51580 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27043123 | 0.85 | CA12 (0.44) | HCAR1CA12CA1CA2CA7 | |
| SCHEMBL689840 | 0.85 | CA12 (0.44) | HCAR1CA12CA1CA2CA7 | |
| SCHEMBL2709094 | 0.85 | CA12 (0.44) | HCAR1CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL4432908 | 0.83 | CA12 (0.42) | HCAR1CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL2709004 | 0.83 | CA12 (0.42) | HCAR1CA12CA1CA2CA7 | |
| SCHEMBL505097 | 0.80 | HCAR1 (0.53) | HCAR1CES2CES1 | |
| SCHEMBL5669171 | 0.79 | GLRA3 (0.42) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL6524503 | 0.78 | HCAR1 (0.52) | HCAR1CES2CES1 | |
| SCHEMBL3554496 | 0.78 | GLRA3 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL336433 | 0.78 | HCAR1 (0.73) | HCAR1HCAR2CES2CES1CA12 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110869350-B | Alkynyl compounds, their preparation and their therapeutic use | 赛诺菲 | 2023-05-02 | — | — | CN | disclosed |
| US-11078160-B2 | Ethynyl compounds, their preparation and their therapeutic use for the treatment of malaria | SANOFI (FR) | 2021-08-03 | — | — | US | disclosed |
| US-11078160-B2 | Ethynyl compounds, their preparation and their therapeutic use for the treatment of malaria | SANOFI (FR) | 2021-08-03 | — | — | US | disclosed |
| US-20200281909-A1 | ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA | SANOFI-AVENTIS RECHERCHE & DEVELOPPEMENT (FR) | 2020-09-10 | — | — | US | disclosed |
| US-20200281909-A1 | ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA | SANOFI-AVENTIS RECHERCHE & DEVELOPPEMENT (FR) | 2020-09-10 | — | — | US | disclosed |
| EP-3649109-A1 | ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA | Sanofi (FR) | 2020-05-13 | — | — | EP | disclosed |
| CN-110869350-A | Alkynyl compounds, their preparation and their therapeutic use | 赛诺菲 | 2020-03-06 | — | — | CN | disclosed |
| WO-2019008027-A1 | ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA | SANOFI (FR) | 2019-01-10 | — | — | WO | disclosed |
| WO-2019008027-A1 | ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA | SANOFI (FR) | 2019-01-10 | — | — | WO | disclosed |
| US-8268855-B2 | 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-09-18 | — | — | US | disclosed |
| US-20100210629-A1 | 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | BRISTOL-MYERS SQUIBB COMPANY | 2010-08-19 | — | — | US | disclosed |
| EP-1888584-B1 | 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2010-04-21 | — | — | EP | disclosed |
| EP-1888584-A1 | 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY | Brystol-Myers Squibb Company (US) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006122137-A1 | 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-16 | — | — | 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 (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-11078160-B2 | Ethynyl compounds, their preparation and their therapeutic use for the treatment of malaria | CYP11B2, CYP11B1, RHOT2 | HCAR1 875/4885HCAR2 1143/4885CES2 200/4885 |
| US-20100210629-A1 | 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | IL1R1, IDO1, TLR1 | HCAR1 57/4885HCAR2 292/4885CES2 3693/4885 |
| US-20200281909-A1 | ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA | CYP11B2, CYP11B1, RHOT2 | HCAR1 875/4885HCAR2 1143/4885CES2 200/4885 |
“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.