Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 6/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.47 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | GABRE | P78334 | 1/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.40 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6446069 | 0.87 | MMP2 (0.55) | APPMMP2MMP12MELKHRH3 | |
| SCHEMBL20717669 | 0.85 | APP (0.52) | APPMAPTMMP2MMP12MELK | |
| SCHEMBL16377626 | 0.81 | APP (0.38) | APPMAPTMMP2MMP12MELK | |
| SCHEMBL9672111 | 0.80 | MMP2 (0.50) | MMP2MMP12MELKHRH3GABRP | |
| SCHEMBL1310116 | 0.79 | APP (0.50) | APPMAPTHRH3GABRPGABRD | |
| SCHEMBL25693846 | 0.78 | CYP2C19 (0.62) | APPMAPTMEN1KMT2ACYP1A2 | |
| SCHEMBL11214760 | 0.78 | APP (0.50) | APPMAPTMMP2MMP12MELK | |
| SCHEMBL1310397 | 0.77 | MAPT (0.54) | APPMAPTMMP2MMP12HRH3 | |
| Hydrochloric Acid SCHEMBL25239520 | 0.76 | BLM (0.64) | APPMAPTMEN1KMT2ACYP1A2 | |
| SCHEMBL565043 | 0.76 | MMP2 (0.47) | APPMMP2MMP12MELKHRH3 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200199657-A1 | OPTICAL SUPER-MULTIPLEXING BY POLYYNES | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2020-06-25 | — | — | US | disclosed |
| EP-3017307-B1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIV STRASBOURG (FR) | 2018-11-21 | — | — | EP | disclosed |
| US-10131626-B2 | 3-aryl propiolonitrile compounds for thiol labeling | UNIVERSITE DE STRASBOURG (FR) | 2018-11-20 | — | — | US | disclosed |
| US-20170210700-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2017-07-27 | — | — | US | disclosed |
| US-9663454-B2 | 3-aryl propiolonitrile compounds for thiol labeling | UNIVERSITE DE STRASBOURG (FR) | 2017-05-30 | — | — | US | disclosed |
| US-20160145199-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIVERSITE DE STRASBOURG (FR) | 2016-05-26 | — | — | US | disclosed |
| EP-3017307-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | Université de Strasbourg (FR) | 2016-05-11 | — | — | EP | disclosed |
| WO-2015001117-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIVERSITE DE STRASBOURG (FR) | 2015-01-08 | — | — | WO | disclosed |
| US-7622449-B2 | Anti-hypercholesterolemic compounds | MERCK & CO., INC. (US) | 2009-11-24 | — | — | US | disclosed |
| US-4219679-A | HIGH CONVERSION | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1980-08-26 | — | — | US | disclosed |
| US-4216341-A | Selective hydrogenation of certain nitroaromatic hydroxy substituted acetylenes over a heterogeneous RuS2 catalyst | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1980-08-05 | — | — | US | disclosed |
| US-4139561-A | RUTHENIUM HYDROGENATION CATALYST | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1979-02-13 | — | — | US | 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-10131626-B2 | 3-aryl propiolonitrile compounds for thiol labeling | PTMS, TST, PNN | APP 660/4885MAPT 885/4885MMP2 4268/4885 |
| US-20170210700-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | PTMS, TST, PNN | APP 660/4885MAPT 885/4885MMP2 4268/4885 |
| US-20160145199-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | PTMS, TST, PNN | APP 660/4885MAPT 885/4885MMP2 4268/4885 |
“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.