Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 4/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11663960 | 0.85 | HDAC8 (0.34) | FFAR1TSHRCA12CA2CA9 | |
| SCHEMBL1003188 | 0.85 | TSHR (0.50) | FFAR1CYP2A6ALDH1A1TSHRFFAR4 | |
| SCHEMBL30252087 | 0.83 | TSHR (0.45) | FFAR1CYP2A6ALDH1A1TSHRFFAR4 | |
| SCHEMBL23235784 | 0.83 | CYP2A6 (0.43) | FFAR1CYP2A6ALDH1A1TSHRIMPDH2 | |
| SCHEMBL23797569 | 0.83 | TSHR (0.45) | FFAR1CYP2A6ALDH1A1TSHRFFAR4 | |
| SCHEMBL16953031 | 0.79 | FFAR1 (0.44) | FFAR1CYP2A6ALDH1A1TSHRFFAR4 | |
| SCHEMBL20364829 | 0.78 | IMPDH2 (0.39) | CYP2A6ALDH1A1TSHRIMPDH2IMPDH1 | |
| SCHEMBL31352953 | 0.78 | IMPDH2 (0.39) | CYP2A6ALDH1A1TSHRIMPDH2IMPDH1 | |
| SCHEMBL17672451 | 0.75 | ALDH1A1 (0.40) | CYP2A6ALDH1A1IMPDH2IMPDH1PNMT | |
| SCHEMBL3227760 | 0.75 | IMPDH2 (0.37) | CYP2A6ALDH1A1TSHRIMPDH2IMPDH1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3814331-B9 | NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY | ORSOBIO INC (US) | 2023-08-09 | — | — | EP | disclosed |
| EP-3052501-B1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | AGENCY SCIENCE TECH & RES (SG) | 2022-06-22 | — | — | EP | disclosed |
| EP-3052501-B1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | AGENCY SCIENCE TECH & RES (SG) | 2022-06-22 | — | — | EP | disclosed |
| US-10544149-B2 | Bicyclic alkyne derivatives and uses thereof | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2020-01-28 | — | — | US | disclosed |
| EP-3300157-B1 | NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE CONTAINING SAME FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY | LG CHEMICAL LTD (KR) | 2019-10-16 | — | — | EP | disclosed |
| CN-105793262-B | Two cycloalkyne derivatives and application thereof | 新加坡科技研究局 | 2019-09-03 | — | — | CN | disclosed |
| US-20180194771-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2018-07-12 | — | — | US | disclosed |
| EP-3300157-A2 | NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE CONTAINING SAME FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY | LG Chem, Ltd. (KR) | 2018-03-28 | — | — | EP | disclosed |
| US-9884867-B2 | Bicyclic alkyne derivatives and uses thereof | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2018-02-06 | — | — | US | disclosed |
| US-9884867-B2 | Bicyclic alkyne derivatives and uses thereof | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2018-02-06 | — | — | US | disclosed |
| US-20160229860-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2016-08-11 | — | — | US | disclosed |
| US-20160229860-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2016-08-11 | — | — | US | disclosed |
| EP-3052501-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | Agency For Science, Technology And Research (SG) | 2016-08-10 | — | — | EP | disclosed |
| CN-105793262-A | Bicyclic alkyne derivatives and uses thereof | 新加坡科技研究局 | 2016-07-20 | — | — | CN | disclosed |
| WO-2015050505-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2015-04-09 | — | — | WO | disclosed |
| WO-2015050505-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2015-04-09 | — | — | 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-20160229860-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | MAPKAPK2, CAMKK2, MKNK2 | FFAR1 2127/4885CYP2A6 3871/4885ALDH1A1 2703/4885 |
| US-10544149-B2 | Bicyclic alkyne derivatives and uses thereof | MAPKAPK2, MAP4K2, MKNK2 | FFAR1 2117/4885CYP2A6 3798/4885ALDH1A1 2664/4885 |
| US-20180194771-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | MAPKAPK2, CAMKK2, MKNK2 | FFAR1 2127/4885CYP2A6 3871/4885ALDH1A1 2703/4885 |
“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.