Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | RXRA | P19793 | 14/20 | 0.45 |
| ▸ | RXRB | P28702 | 9/20 | 0.45 |
| ▸ | RXRG | P48443 | 8/20 | 0.45 |
| ▸ | RARB | P10826 | 9/20 | 0.43 |
| ▸ | RARG | P13631 | 9/20 | 0.43 |
| ▸ | RARA | P10276 | 7/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | RORC | P51449 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30575788 | 1.00 | ALDH1A1 (0.63) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| SCHEMBL12493700 | 1.00 | ALDH1A1 (0.63) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| SCHEMBL15609523 | 0.94 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| SCHEMBL9856621 | 0.94 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| SCHEMBL12494830 | 0.94 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| SCHEMBL12494087 | 0.94 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| SCHEMBL5532432 | 0.94 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| SCHEMBL14566205 | 0.87 | ALDH1A1 (0.71) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| SCHEMBL954796 | 0.87 | ALDH1A1 (0.71) | ALDH1A1CYP3A4ALOX15TDP1KDM4E | |
| SCHEMBL954794 | 0.87 | ALDH1A1 (0.71) | ALDH1A1CYP3A4ALOX15TDP1KDM4E |
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-10548864-B2 | Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) | 2020-02-04 | — | — | US | disclosed |
| US-10265288-B2 | Methods and compositions for the treatment of proliferative disorders | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) | 2019-04-23 | — | — | US | disclosed |
| US-20180064666-A1 | ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. | 2018-03-08 | — | — | US | disclosed |
| WO-2015143190-A1 | ENHANCED ATRA-RELATED COMPOUNDS DERIVED FROM STRUCTURE-ACTIVITY RELATIONSHIPS AND MODELING FOR INHIBITING PIN1 | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) | 2015-09-24 | — | — | WO | disclosed |
| US-20150080427-A1 | BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 | AUSPEX PHARMACEUTICALS, INC. | 2015-03-19 | — | — | US | disclosed |
| US-20150044278-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. | 2015-02-12 | — | — | US | disclosed |
| US-20140086909-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) | 2014-03-27 | — | — | 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 (3 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-10548864-B2 | Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions | PIN1, RARB, RARA | ALDH1A1 1735/4885CYP3A4 3907/4885ALOX15 3630/4885 |
| US-20150080427-A1 | BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 | SLC18A2, SLC6A2, SLC18A1 | ALDH1A1 824/4885CYP3A4 561/4885ALOX15 2934/4885 |
| US-20180064666-A1 | ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS | PIN1, RARB, RARA | ALDH1A1 1735/4885CYP3A4 3907/4885ALOX15 3630/4885 |
“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.