Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | IKBKB | O14920 | 1/20 | 0.49 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21715154 | 0.90 | GRM5 (0.58) | GRM5ALDH1A1HSD17B10CYP1A2IKBKB | |
| SCHEMBL30368222 | 0.83 | ALDH1A1 (0.66) | ALDH1A1HSD17B10CYP1A2MEN1KMT2A | |
| SCHEMBL171190 | 0.83 | ALDH1A1 (0.66) | ALDH1A1HSD17B10CYP1A2MEN1KMT2A | |
| SCHEMBL10191902 | 0.82 | ALDH1A1 (0.59) | GRM5ALDH1A1HSD17B10CYP1A2IKBKB | |
| SCHEMBL15612045 | 0.82 | PTPN11 (0.71) | GRM5ALDH1A1HSD17B10CYP1A2IKBKB | |
| SCHEMBL16341093 | 0.80 | KMT2A (0.72) | ALDH1A1HSD17B10CYP1A2MEN1KMT2A | |
| SCHEMBL1040883 | 0.78 | ALDH1A1 (0.59) | GRM5ALDH1A1HSD17B10CYP1A2MEN1 | |
| SCHEMBL10533351 | 0.78 | ALDH1A1 (0.77) | ALDH1A1HSD17B10CYP1A2MEN1KMT2A | |
| Acetonitrile SCHEMBL28273231 | 0.78 | EGFR (0.59) | GRM5ALDH1A1HSD17B10CYP1A2IKBKB | |
| SCHEMBL4631029 | 0.78 | GRM5 (0.53) | GRM5ALDH1A1HSD17B10CYP1A2IKBKB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170210700-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2017-07-27 | — | — | 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 |
| WO-2015001117-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIVERSITE DE STRASBOURG (FR) | 2015-01-08 | — | — | 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 (2 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-20170210700-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | PTMS, TST, PNN | GRM5 3216/4885ALDH1A1 30/4885HSD17B10 1708/4885 |
| US-20160145199-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | PTMS, TST, PNN | GRM5 3216/4885ALDH1A1 30/4885HSD17B10 1708/4885 |
“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.