Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.48 |
| ▸ | APP | P05067 | 3/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRE | P78334 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.34 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.34 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1306384 | 0.89 | GABRA1 (0.38) | CYP1A1CYP1A2CYP1B1APPGABRA1 | |
| SCHEMBL12788166 | 0.88 | CYP1A1 (0.39) | CYP1A1CYP1A2CYP1B1GABRA1GABRG2 | |
| SCHEMBL14822799 | 0.88 | CYP1A1 (0.39) | CYP1A1CYP1A2CYP1B1GABRA1GABRG2 | |
| SCHEMBL1306505 | 0.87 | APP (0.41) | CYP1A2APPGABRA1GABRG2GABRB3 | |
| SCHEMBL12788161 | 0.85 | CYP1A1 (0.33) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17082313 | 0.83 | CYP1A1 (0.49) | CYP1A1CYP1A2CYP1B1GABRA1GABRG2 | |
| SCHEMBL2226274 | 0.83 | APP (0.59) | APPGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL2854252 | 0.82 | CYP1A1 (0.44) | CYP1A1CYP1A2CYP1B1APPGABRA1 | |
| SCHEMBL2105428 | 0.81 | APP (0.64) | APPMAPT | |
| SCHEMBL3913662 | 0.81 | CYP1A1 (0.65) | CYP1A1CYP1A2CYP1B1APPGABRA1 |
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 1 patent. 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 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 | CYP1A1 502/4885CYP1A2 830/4885CYP1B1 312/4885 |
“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.