Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.45 |
| ▸ | MBTPS1 | Q14703 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9222992 | 0.86 | MMP9 (0.42) | ACEMMP9POLBMAPTS1PR1 | |
| SCHEMBL7299518 | 0.85 | ACE (0.44) | ACEMBTPS1MMP9POLBMAPT | |
| SCHEMBL9215449 | 0.84 | MAPT (0.45) | ACEPOLBMAPTMAPK1 | |
| SCHEMBL7304168 | 0.77 | ITGB3 (0.44) | ACEMMP9MMP2MMP7MMP12 | |
| SCHEMBL7302254 | 0.76 | TDP1 (0.46) | ACEMMP9POLBMAPTALDH1A1 | |
| SCHEMBL7304574 | 0.75 | MAPT (0.52) | ACEMMP9POLBMAPTMAPK1 | |
| SCHEMBL29808005 | 0.74 | ACE (0.52) | ACEMBTPS1MMP9POLBALDH1A1 | |
| SCHEMBL7305875 | 0.73 | ACE (0.49) | ACEPOLBMAPTMAPK1TACR1 | |
| SCHEMBL7307169 | 0.71 | CCKBR (0.44) | ACEMMP9POLBMAPTPTPN1 | |
| SCHEMBL21117123 | 0.71 | ACE (0.44) | ACEMMP9POLBMAPTS1PR4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0445796-B1 | Derivatives of acetic acid containing peptide bonds | HOFFMANN LA ROCHE (CH) | 1998-06-17 | — | — | EP | disclosed |
| US-5430024-A | Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation | HOFFMANN-LA ROCHE INC. (US) | 1995-07-04 | — | — | US | disclosed |
| US-5273982-A | An amidinoaryleneamidoalkylpiperazinyleneacetic acid | HOFFMANN-LA ROCHE INC. (US) | 1993-12-28 | — | — | US | disclosed |
| EP-0445796-A2 | Derivatives of acetic acid | F. HOFFMANN-LA ROCHE AG (CH) | 1991-09-11 | — | — | EP | disclosed |