Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.36 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.35 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.35 |
| ▸ | GPR183 | P32249 | 1/20 | 0.35 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11133543 | 1.00 | CA2 (0.47) | CA2HTR2ACYP4F2CYP4A11SPHK1 | |
| SCHEMBL11139055 | 0.98 | CA2 (0.46) | CA2HTR2ACYP4F2CYP4A11SPHK1 | |
| SCHEMBL11137665 | 0.93 | CA2 (0.44) | CA2HTR2ACYP4F2CYP4A11ABAT | |
| SCHEMBL21741595 | 0.87 | CA2 (0.58) | CA2HTR2ACYP4F2CYP4A11ABAT | |
| SCHEMBL11132063 | 0.85 | CA2 (0.45) | CA2CYP4F2CYP4A11ABAT | |
| SCHEMBL3456843 | 0.85 | CA2 (0.57) | CA2HTR2ACYP4F2CYP4A11ABAT | |
| Acetic Acid SCHEMBL11133319 | 0.84 | KDM4E (0.44) | CA2HTR2ACYP4F2CYP4A11SPHK1 | |
| SCHEMBL11137255 | 0.81 | MAPT (0.56) | S1PR1S1PR3S1PR2 | |
| SCHEMBL6612634 | 0.79 | CA2 (0.55) | CA2HTR2ACYP4F2CYP4A11ABAT | |
| SCHEMBL11134296 | 0.79 | MAPT (0.53) | S1PR1S1PR3S1PR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0044541-B1 | AMINOCARBOXYLIC ACIDS, AMINO ALCOHOLS, OR THE DERIVATIVES THEREOF, PROCESSES FOR PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION, CONTAINING AT LEAST ONE OF THESE COMPOUNDS | TEIJIN LIMITED (JP) | 1983-09-21 | — | — | EP | disclosed |
| EP-0044541-A1 | Aminocarboxylic acids, amino alcohols, or the derivatives thereof, processes for production thereof, and pharmaceutical composition, containing at least one of these compounds | TEIJIN LIMITED (JP) | 1982-01-27 | — | — | EP | disclosed |