Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL8496714 | 0.86 | S1PR1 (0.56) | ALDH1A1S1PR1S1PR4S1PR3S1PR5 | |
| SCHEMBL8496921 | 0.81 | HTT (0.49) | ALDH1A1L3MBTL1S1PR1S1PR4S1PR3 | |
| SCHEMBL8500240 | 0.81 | ACACB (0.43) | ALDH1A1ACACB | |
| SCHEMBL8500379 | 0.81 | S1PR1 (0.52) | ALDH1A1S1PR1S1PR4S1PR3S1PR5 | |
| SCHEMBL3393745 | 0.80 | TNNC1 (0.49) | ALDH1A1L3MBTL1S1PR1S1PR4S1PR3 | |
| SCHEMBL12799754 | 0.78 | S1PR1 (0.49) | ALDH1A1L3MBTL1S1PR1S1PR4S1PR3 | |
| SCHEMBL7618060 | 0.77 | S1PR1 (0.47) | ALDH1A1S1PR1S1PR4S1PR3S1PR5 | |
| SCHEMBL8496083 | 0.76 | TP53 (0.51) | — | |
| SCHEMBL1497771 | 0.75 | FFAR1 (0.53) | ALDH1A1L3MBTL1 | |
| SCHEMBL8500283 | 0.75 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1S1PR1S1PR3S1PR5 |
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-5952316-A | FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1999-09-14 | — | — | US | disclosed |
| EP-0627406-B1 | 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT | YOSHITOMI PHARMACEUTICAL (JP) | 1998-10-28 | — | — | EP | disclosed |
| US-5719176-A | 2-amino-1,3-propanediol compound and immunosuppressant | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1998-02-17 | — | — | US | disclosed |
| US-5604229-A | 2-amino-1,3-propanediol compound and immunosuppressant | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1997-02-18 | — | — | US | disclosed |
| EP-0627406-A1 | 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-12-07 | — | — | EP | disclosed |