Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRB2 | P62993 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 6/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 6/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7369942 | 1.00 | GRB2 (0.36) | GRB2LTA4HITGB3ITGAVITGA2B | |
| SCHEMBL22010051 | 0.82 | L3MBTL1 (0.40) | GRB2LTA4HITGB3ITGAVITGA2B | |
| SCHEMBL10445830 | 0.81 | USP30 (0.44) | ITGB3ITGAVITGA2BMEN1KMT2A | |
| SCHEMBL26747607 | 0.78 | ITGB3 (0.41) | LTA4HITGB3ITGAVITGA2BSLC1A3 | |
| SCHEMBL289162 | 0.75 | SLC7A5 (0.57) | GRB2ITGB3ITGAVITGA2BPTPN1 | |
| SCHEMBL180332 | 0.75 | SLC7A5 (0.57) | GRB2ITGB3ITGAVITGA2BPTPN1 | |
| SCHEMBL180331 | 0.75 | SLC7A5 (0.57) | GRB2ITGB3ITGAVITGA2BPTPN1 | |
| SCHEMBL11563068 | 0.74 | ALDH1A1 (0.45) | LTA4HITGB3ITGAVITGA2BNPSR1 | |
| SCHEMBL22009941 | 0.74 | ITGB3 (0.39) | LTA4HITGB3ITGAVITGA2BSLC1A3 | |
| SCHEMBL4165820 | 0.73 | PTPN1 (0.54) | PTPN1AOC3MEN1KMT2A |
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-6060462-A | Electrophilic peptide analogs as inhibitors of trypsin-like enzymes | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0724446-A4 | ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES | DU PONT MERCK PHARMA (US) | 1998-01-07 | — | — | EP | disclosed |
| US-5639739-A | USEFUL FOR TREATING THROMBOSIS IN MAMMALS BY INHIBITING TRYPSIN-LIKE SERINE PROTEASE ENZYMES | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-06-17 | — | — | US | disclosed |
| EP-0724446-A1 | ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995009634-A1 | ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-13 | — | — | WO | disclosed |