Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CNR2 | P34972 | 7/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | HPN | P05981 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15166821 | 0.78 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CA12CYP3A4ATM | |
| SCHEMBL7599913 | 0.73 | ALDH1A1 (0.57) | ALDH1A1CNR2MCHR1CYP1A2CA12 | |
| SCHEMBL17704222 | 0.71 | CYP3A4 (0.44) | ALDH1A1CNR2MCHR1CYP1A2CA12 | |
| SCHEMBL16521857 | 0.71 | CYP3A4 (0.44) | ALDH1A1CNR2MCHR1CYP1A2CA12 | |
| SCHEMBL9702120 | 0.68 | CA2 (0.49) | ALDH1A1MCHR1CYP1A2CA12CYP3A4 | |
| SCHEMBL28664196 | 0.68 | ALDH1A1 (0.58) | ALDH1A1CNR2MCHR1CYP1A2CA12 | |
| SCHEMBL15166839 | 0.67 | CA2 (0.61) | ALDH1A1CYP1A2CA12CYP3A4ATM | |
| SCHEMBL6966789 | 0.66 | ALDH1A1 (0.49) | ALDH1A1CNR2MCHR1CYP1A2CA12 | |
| SCHEMBL18221847 | 0.66 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CA12CYP3A4ATM | |
| SCHEMBL28615849 | 0.66 | ALDH1A1 (0.75) | ALDH1A1CYP1A2CA12CYP3A4ATM |
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-9328061-B2 | Simple organic molecules as catalysts for practical and efficient enantioselective synthesis of amines and alcohols | TRUSTEES OF BOSTON COLLEGE (US) | 2016-05-03 | — | — | US | disclosed |
| US-9328061-B2 | Simple organic molecules as catalysts for practical and efficient enantioselective synthesis of amines and alcohols | TRUSTEES OF BOSTON COLLEGE (US) | 2016-05-03 | — | — | US | disclosed |
| US-20150057451-A1 | SIMPLE ORGANIC MOLECULES AS CATALYSTS FOR PRACTICAL AND EFFICIENT ENANTIOSELECTIVE SYNTHESIS OF AMINES AND ALCOHOLS | NATIONAL INSTITUTES OF HEALTH, U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, U.S. GOVERNMENT | 2015-02-26 | — | — | US | disclosed |
| US-20150057451-A1 | SIMPLE ORGANIC MOLECULES AS CATALYSTS FOR PRACTICAL AND EFFICIENT ENANTIOSELECTIVE SYNTHESIS OF AMINES AND ALCOHOLS | NATIONAL INSTITUTES OF HEALTH, U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, U.S. GOVERNMENT | 2015-02-26 | — | — | US | disclosed |
| WO-2013131043-A1 | SIMPLE ORGANIC MOLECULES AS CATALYSTS FOR PRACTICAL AND EFFICIENT ENANTIOSELECTIVE SYNTHESIS OF AMINES AND ALCOHOLS | TRUSTEES OF BOSTON COLLEGE (US) | 2013-09-06 | — | — | 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-20150057451-A1 | SIMPLE ORGANIC MOLECULES AS CATALYSTS FOR PRACTICAL AND EFFICIENT ENANTIOSELECTIVE SYNTHESIS OF AMINES AND ALCOHOLS | ADH1C, ADH5, ADH1A | ALDH1A1 76/4885CNR2 1785/4885MCHR1 2164/4885 |
“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.