Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | RXRA | P19793 | 7/20 | 0.45 |
| ▸ | RARB | P10826 | 6/20 | 0.45 |
| ▸ | RARG | P13631 | 6/20 | 0.45 |
| ▸ | RARA | P10276 | 5/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 5/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.38 |
| ▸ | RXRB | P28702 | 2/20 | 0.38 |
| ▸ | RXRG | P48443 | 2/20 | 0.38 |
| ▸ | RORC | P51449 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9201572 | 1.00 | CYP1A2 (0.49) | CYP1A2RXRARARBRARGRARA | |
| SCHEMBL18084338 | 0.85 | TRPA1 (0.43) | CYP1A2RXRARARBRARGRARA | |
| SCHEMBL23903751 | 0.83 | ALDH1A1 (0.40) | CYP1A2RXRARARBRARGRARA | |
| SCHEMBL2039596 | 0.82 | RARB (0.45) | CYP1A2RXRARARBRARGRARA | |
| SCHEMBL21757486 | 0.81 | MEN1 (0.38) | CYP1A2RXRARARBRARGRARA | |
| SCHEMBL3146722 | 0.80 | ALDH1A1 (0.42) | CYP1A2RXRARARBRARGRARA | |
| SCHEMBL454132 | 0.80 | ALDH1A1 (0.42) | CYP1A2RXRARARBRARGRARA | |
| SCHEMBL4913470 | 0.80 | ALDH1A1 (0.42) | CYP1A2RXRARARBRARGRARA | |
| SCHEMBL3162630 | 0.79 | RARB (0.46) | CYP1A2RXRARARBRARGRARA | |
| SCHEMBL3151313 | 0.79 | RARB (0.46) | CYP1A2RXRARARBRARGRARA |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57145869-A | — | — | None | — | — | JP | disclosed |
| US-10980835-B2 | Arsenic trioxide for treatment of PIN1-associated disorders | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) | 2021-04-20 | — | — | US | disclosed |
| 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 |
| EP-3060546-B1 | PROCESSES FOR THE PREPARATION OF UNSATURATED ESTERS | INT FLAVORS & FRAGRANCES INC (US) | 2019-02-13 | — | — | EP | disclosed |
| US-20180153934-A1 | ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2018-06-07 | — | — | 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 |
| US-20170112792-A1 | ENHANCED ATRA-RELATED COMPOUNDS DERIVED FROM STRUCTURE-ACTIVITY RELATIONSHIPS AND MODELING FOR INHIBITING PIN1 | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. | 2017-04-27 | — | — | US | disclosed |
| EP-3060546-A1 | PROCESSES FOR THE PREPARATION OF UNSATURATED ESTERS | International Flavors & Fragrances Inc. (US) | 2016-08-31 | — | — | EP | 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 |
| WO-2015059696-A1 | PROCESSES FOR THE PREPARATION OF UNSATURATED ESTERS | AROMOR FLAVORS & FRAGRANCES LTD. (IL) | 2015-04-30 | — | — | WO | 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 |
| WO-2012125724-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | BETH ISRAEL DEACONESS MEDICAL CENTER (US) | 2012-09-20 | — | — | WO | disclosed |
| EP-0525579-B1 | Process for preparing substituted hexemic acids | GIVAUDAN ROURE INT (CH) | 1995-09-20 | — | — | EP | disclosed |
| US-5292902-A | Process for the manufacture of odorants and intermediates used therein | GIVAUDAN-ROURE CORPORATION (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0525579-A2 | Process for preparing substituted hexemic acids | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1993-02-03 | — | — | EP | disclosed |
| JP-S57145869-A | PREPARATION OF D,L-NORAMBRENOLIDE | JAPAN TOBACCO INC | 1982-09-09 | — | — | JP | 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 (4 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-10980835-B2 | Arsenic trioxide for treatment of PIN1-associated disorders | PIN1, AS3MT, PML | CYP1A2 3211/4885RXRA 27/4885RARB 4/4885 |
| US-20180153934-A1 | ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS | PIN1, AS3MT, PML | CYP1A2 3211/4885RXRA 27/4885RARB 4/4885 |
| US-10548864-B2 | Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions | PIN1, RARB, RARA | CYP1A2 2871/4885RXRA 5/4885RARB 2/4885 |
| US-20180064666-A1 | ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS | PIN1, RARB, RARA | CYP1A2 2871/4885RXRA 5/4885RARB 2/4885 |
“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.