Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MASP2 | O00187 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | ECE1 | P42892 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7299446 | 0.87 | HRH4 (0.43) | HRH4ALDH1A1CYP3A4MAPK1MAPT | |
| SCHEMBL7306359 | 0.84 | PRSS1 (0.46) | HRH4CYP3A4MAPTRAB9APRSS1 | |
| SCHEMBL7298211 | 0.83 | ITGB3 (0.43) | MASP2TACR1HTTMEN1KMT2A | |
| SCHEMBL9335659 | 0.83 | HDAC1 (0.48) | MAPTMASP2PRSS1CTSGCTRB1 | |
| SCHEMBL7305313 | 0.81 | HDAC6 (0.49) | CYP3A4MAPTPRSS1CTSGCTRB1 | |
| SCHEMBL7331153 | 0.80 | HDAC6 (0.53) | PRSS1CTSGCTRB1CMA1HTT | |
| SCHEMBL7305395 | 0.80 | MEN1 (0.41) | HRH4MAPTMASP2TACR1HTT | |
| SCHEMBL9225496 | 0.80 | MEN1 (0.41) | HRH4MAPTMASP2TACR1HTT | |
| SCHEMBL9339505 | 0.80 | PPARG (0.47) | ALDH1A1MAPTRAB9APRSS1CTSG | |
| SCHEMBL7299527 | 0.78 | ITGB3 (0.44) | MASP2PRSS1CTSGCTRB1CMA1 |
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 |