Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.85 |
| ▸ | MAPT | P10636 | 7/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.85 |
| ▸ | RXRA | P19793 | 5/20 | 0.85 |
| ▸ | RARA | P10276 | 4/20 | 0.85 |
| ▸ | RARB | P10826 | 4/20 | 0.85 |
| ▸ | RARG | P13631 | 4/20 | 0.85 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.85 |
| ▸ | APP | P05067 | 4/20 | 0.85 |
| ▸ | SNCA | P37840 | 4/20 | 0.85 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.85 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.85 |
| ▸ | RXRB | P28702 | 2/20 | 0.85 |
| ▸ | RXRG | P48443 | 2/20 | 0.85 |
| ▸ | RORC | P51449 | 2/20 | 0.85 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.85 |
| ▸ | HTR2B | P41595 | 2/20 | 0.85 |
| ▸ | BLM | P54132 | 2/20 | 0.85 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.85 |
| ▸ | DRD3 | P35462 | 2/20 | 0.85 |
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 | |
|---|---|---|---|---|
| SCHEMBL7162641 | 1.00 | ALDH1A1 (0.85) | ALDH1A1MAPTCYP3A4RXRARARA | |
| SCHEMBL10623339 | 0.99 | ALDH1A1 (0.88) | ALDH1A1MAPTCYP3A4RXRARARA | |
| SCHEMBL10623334 | 0.99 | ALDH1A1 (0.88) | ALDH1A1MAPTCYP3A4RXRARARA | |
| SCHEMBL17052744 | 0.95 | ALDH1A1 (0.77) | ALDH1A1MAPTCYP3A4RXRARARA | |
| SCHEMBL4821672 | 0.95 | ALDH1A1 (0.77) | ALDH1A1MAPTCYP3A4RXRARARA | |
| SCHEMBL4821667 | 0.95 | ALDH1A1 (0.77) | ALDH1A1MAPTCYP3A4RXRARARA | |
| SCHEMBL2834051 | 0.94 | ALDH1A1 (0.84) | ALDH1A1MAPTCYP3A4RXRARARA | |
| Tretinoin SCHEMBL24982761 | 0.92 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4RXRARARA | |
| Tretinoin SCHEMBL18667 | 0.92 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4RXRARARA | |
| Alitretinoin SCHEMBL5331051 | 0.92 | ALDH1A1 (1.00) | ALDH1A1MAPTCYP3A4RXRARARA |
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-10668039-B2 | Methods for treatment of adenoid cystic carcinoma | THE CHILDREN'S MEDICAL CENTER CORPORATION (US) | 2020-06-02 | — | — | US | disclosed |
| US-20190192468-A1 | METHODS FOR TREATMENT OF ADENOID CYSTIC CARCINOMA | THE CHILDREN'S MEDICAL CENTER CORPORATION | 2019-06-27 | — | — | 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 |
| WO-2012125724-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | BETH ISRAEL DEACONESS MEDICAL CENTER (US) | 2012-09-20 | — | — | WO | disclosed |
| US-20030119715-A1 | Treatment of hyperproliferative diseases | VAMPEX LIMITED (GB) | 2003-06-26 | — | — | US | disclosed |
| US-5723329-A | POLYPEPTIDES | THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) | 1998-03-03 | — | — | US | disclosed |
| US-5702914-A | GENETIC ENGINEERING; BIOASSAY | THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) | 1997-12-30 | — | — | US | disclosed |