Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6407920 | 0.83 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL14337995 | 0.79 | CYP3A4 (0.30) | — | |
| SCHEMBL6413134 | 0.78 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL14338015 | 0.78 | — | — | |
| SCHEMBL5376446 | 0.74 | CYP3A4 (0.39) | ALDH1A1 | |
| SCHEMBL14338008 | 0.73 | — | — | |
| SCHEMBL14337807 | 0.71 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL15105430 | 0.70 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL14337993 | 0.70 | CYP3A4 (0.33) | — | |
| SCHEMBL7138432 | 0.69 | ALDH1A1 (0.35) | ALDH1A1ESR1ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050043556-A1 | 2,2'-Bis(triphenylphosphino)biphenyls complexed with a transition metal-diamine complex; highly active and selective hydrogenation catalysts for the hydrogenation of ketones and imines to alcohols and amines, respectively, used as drug intermediates often required in single isomer form; very low loading | MALAN CHRISTOPHE GUILLAUME (CH) | 2005-02-24 | — | — | US | disclosed |
| EP-1458731-A1 | CHIRAL LIGANDS FOR ASYMMETRIC CATALYSIS | Chirotech Technology Limited (GB) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003048173-A1 | CHIRAL LIGANDS FOR ASYMMETRIC CATALYSIS | CHIROTECH TECHNOLOGY LIMITED (GB) | 2003-06-12 | — | — | 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-20050043556-A1 | 2,2'-Bis(triphenylphosphino)biphenyls complexed with a transition metal-diamine complex; highly active and selective hydrogenation catalysts for the hydrogenation of ketones and imines to alcohols and amines, respectively, used as drug intermediates often required in single isomer form; very low loading | ADH5, ADH1A, ADH1C | ALDH1A1 29/4885ESR1 2929/4885ESR2 1395/4885 |
“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.