Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 6/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 6/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 6/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | DPP4 | P27487 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 2/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2679602 | 1.00 | SLC1A3 (0.50) | SLC1A3SLC1A2SLC1A1EPHX1DPP4 | |
| SCHEMBL2679604 | 1.00 | SLC1A3 (0.50) | SLC1A3SLC1A2SLC1A1EPHX1DPP4 | |
| Hydrochloric Acid SCHEMBL29027938 | 0.98 | SLC1A3 (0.49) | SLC1A3SLC1A2SLC1A1EPHX1DPP4 | |
| Hydrochloric Acid SCHEMBL7589303 | 0.98 | SLC1A3 (0.49) | SLC1A3SLC1A2SLC1A1EPHX1DPP4 | |
| SCHEMBL26126016 | 0.93 | SLC1A2 (0.48) | SLC1A3SLC1A2SLC1A1EPHX1DPP4 | |
| SCHEMBL24411126 | 0.88 | SLC1A2 (0.45) | SLC1A3SLC1A2SLC1A1GRM2 | |
| SCHEMBL22143593 | 0.88 | SLC1A2 (0.45) | SLC1A3SLC1A2SLC1A1GRM2 | |
| Hydrochloric Acid SCHEMBL22125733 | 0.86 | SLC1A2 (0.44) | SLC1A3SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL22125734 | 0.86 | SLC1A2 (0.44) | SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL24520309 | 0.82 | SLC1A3 (0.50) | SLC1A3SLC1A2SLC1A1EPHX1DPP4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934064-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2003-03-12 | — | — | EP | disclosed |
| EP-0858262-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-12-04 | — | — | EP | disclosed |
| EP-0949921-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-11-13 | — | — | EP | disclosed |