Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.51 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.51 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.51 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.51 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.51 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.51 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.51 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6365625 | 0.86 | CA1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16595989 | 0.84 | GABRA1 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10411225 | 0.83 | CA1 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15962621 | 0.83 | MAPT (0.59) | ESR1CYP1A2LMNACYP3A4HPGD | |
| SCHEMBL936599 | 0.82 | ACACB (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL168698 | 0.81 | PTPN11 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18399494 | 0.81 | LMNA (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16099211 | 0.80 | GABRA1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18712211 | 0.80 | CA1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18400673 | 0.80 | LMNA (0.61) | CA12CA1CA2CA7CA9 |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210277027-A1 | Fluoro-boron Pyrrole Liquid Crystal Compounds Containing 8-(bisphenylethynyl)-ester Group Flexible Multiple Ring, Preparation Method and Use Thereof | DALIAN UNIVERSITY OF TECHNOLOGY (CN) | 2021-09-09 | — | — | US | disclosed |
| WO-2020143842-A1 | 8-(DIPHENYLETHYNYL)-ESTER FLEXIBLE MULTI-MEMBERED RING-CONTAINING FLUOROBORON PYRROLE LIQUID CRYSTAL COMPOUNDS, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 大连理工大学 | 2020-07-16 | — | — | WO | disclosed |
| US-20170164614-A1 | ANTIMICROBIAL MATERIALS AND METHODS | UNIV FLORIDA (US) | 2017-06-15 | — | — | US | disclosed |
| US-9549549-B2 | Antimicrobial materials and methods | STC.UNM (US) | 2017-01-24 | — | — | US | disclosed |
| US-20140242148-A1 | ANTIMICROBIAL MATERIALS AND METHODS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2014-08-28 | — | — | US | disclosed |
| US-8063048-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20100210642-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | GATTI MCARTHUR SILVIA | 2010-08-19 | — | — | US | disclosed |
| US-7718661-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-05-18 | — | — | US | disclosed |
| EP-1863818-B1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-03-10 | — | — | EP | disclosed |
| US-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | GATTI MCARTHUR SILVIA | 2008-12-04 | — | — | US | disclosed |
| WO-2000077011-A1 | ORGANOSILYL COMPOUNDS HAVING NUCLEAR HORMONE RECEPTOR MODULATING ACTIVITY | ALLERGAN SALES, INC. (US) | 2000-12-21 | — | — | WO | disclosed |
| US-6150413-A | TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) | 2000-11-21 | — | — | US | disclosed |
| US-5929120-A | Guainidino, formamidino, amino and related compounds for inhibiting osteoclast-mediated bone resorption | MERCK & CO., INC. (US) | 1999-07-27 | — | — | US | disclosed |
| US-5741796-A | Pyridyl and naphthyridyl compounds for inhibiting osteoclast-mediated bone resorption | MERCK & CO., INC. (US) | 1998-04-21 | — | — | US | disclosed |
| EP-0760658-A4 | COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION | MERCK & CO INC (US) | 1997-09-17 | — | — | EP | disclosed |
| EP-0760658-A1 | COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION | MERCK & CO. INC. (US) | 1997-03-12 | — | — | EP | disclosed |
| WO-1996020938-A1 | ACETYLENES DISUBSTITUTED WITH 2-TETRAHYDROPYRANOXYARYL AND ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN (US) | 1996-07-11 | — | — | WO | disclosed |
| US-5534641-A | Acetylenes disubstituted with 2-tetrahydropyranoxyaryl and aryl or heteroaryl groups having retinoid-like biological activity | ALLERGAN | 1996-07-09 | — | — | US | disclosed |
| US-5498795-A | ANTITUMOR AGENTS, SKIN DISORDERS, ATHEROSCLEROSIS, PROSTATE CANCER AND AUTOIMMUNE DISEASES | ALLERGAN, INC. (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1995032710-A1 | COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION | MERCK & CO., INC. (US) | 1995-12-07 | — | — | 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 (5 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-20100210642-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | CA12 4483/4885CA1 3680/4885CA2 4071/4885 |
| US-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | CA12 4483/4885CA1 3680/4885CA2 4071/4885 |
| US-20210277027-A1 | Fluoro-boron Pyrrole Liquid Crystal Compounds Containing 8-(bisphenylethynyl)-ester Group Flexible Multiple Ring, Preparation Method and Use Thereof | CYP46A1, BCL6, DHCR7 | CA12 1489/4885CA1 1839/4885CA2 3804/4885 |
| US-20170164614-A1 | ANTIMICROBIAL MATERIALS AND METHODS | AOC3, OGFOD1, DDT | CA12 4874/4885CA1 4880/4885CA2 4656/4885 |
| US-20140242148-A1 | ANTIMICROBIAL MATERIALS AND METHODS | AOC3, OGFOD1, DDT | CA12 4874/4885CA1 4880/4885CA2 4656/4885 |
“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.