Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 6/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3391282 | 1.00 | CYP1A2 (0.44) | CYP1A2GAAMGAMSIMGAM2 | |
| Hydrochloric Acid SCHEMBL1262789 | 0.98 | CYP1A2 (0.42) | CYP1A2GAAMGAMSIMGAM2 | |
| Hydrochloric Acid SCHEMBL1263043 | 0.98 | CYP1A2 (0.42) | CYP1A2GAAMGAMSIMGAM2 | |
| Hydrochloric Acid SCHEMBL1261993 | 0.98 | CYP1A2 (0.42) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL13349132 | 0.83 | GAA (0.46) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL21578793 | 0.81 | GAA (0.48) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL3248904 | 0.79 | GAA (0.50) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL24267191 | 0.78 | GAA (0.41) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL29207624 | 0.78 | MGAM (0.41) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL29207625 | 0.78 | MGAM (0.41) | CYP1A2GAAMGAMSIMGAM2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1863812-B1 | DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT | LG LIFE SCIENCES LTD (KR) | 2010-07-14 | — | — | EP | disclosed |