Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.41 |
| ▸ | CNR2 | P34972 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL173301 | 0.80 | ALDH1A1 (0.64) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Bromide SCHEMBL8645583 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Phosphine SCHEMBL28908227 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Water SCHEMBL29179560 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Hydrogen Peroxide SCHEMBL5496256 | 0.75 | ALDH1A1 (0.58) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Hydrogen Peroxide SCHEMBL7816450 | 0.75 | ALDH1A1 (0.58) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| Bromide SCHEMBL8523958 | 0.74 | XDH (0.40) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL648420 | 0.73 | ALDH1A1 (0.52) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL1653180 | 0.73 | ALDH1A1 (0.52) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL11223615 | 0.72 | GABRA1 (0.37) | CYP3A4XDHMAPTGABRA1GABRB2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7465802-B2 | Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system | FU JEN CATHOLIC UNIVERSITY (TW) | 2008-12-16 | — | — | US | disclosed |
| US-7465802-B2 | Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system | FU JEN CATHOLIC UNIVERSITY (TW) | 2008-12-16 | — | — | US | disclosed |
| US-20080146813-A1 | Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system | FU JEN CATHOLIC UNIVERSITY (TW) | 2008-06-19 | — | — | US | disclosed |
| US-20080146813-A1 | Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system | FU JEN CATHOLIC UNIVERSITY (TW) | 2008-06-19 | — | — | US | disclosed |
| EP-0338054-B1 | CROSS COUPLING OF TITANIUM ORGANYLS | MERCK PATENT GmbH (DE) | 1992-12-30 | — | — | EP | disclosed |
| EP-0338054-A1 | CROSS COUPLING OF TITANIUM ORGANYLS | MERCK PATENT GmbH (DE) | 1989-10-25 | — | — | EP | disclosed |
| WO-1989003812-A1 | CROSS COUPLING OF TITANIUM ORGANYLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-05-05 | — | — | 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 (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-20080146813-A1 | Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system | CBR3, OCIAD2, OCIAD1 | ALDH1A1 1257/4885CYP3A4 253/4885SMN1; SMN2 4521/4885 |
“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.