Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 5/20 | 0.42 |
| ▸ | PPARG | P37231 | 4/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | KLK7 | P49862 | 1/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | MDM4 | O15151 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL30396357 | 0.89 | IDO1 (0.45) | IDO1PPARAPPARGACEPPARD | |
| SCHEMBL29357117 | 0.84 | MDM4 (0.55) | IDO1MDM4TP53MDM2 | |
| SCHEMBL29460393 | 0.84 | MDM4 (0.55) | IDO1MDM4TP53MDM2 | |
| SCHEMBL30648981 | 0.84 | MDM4 (0.55) | IDO1MDM4TP53MDM2 | |
| SCHEMBL872021 | 0.84 | MDM4 (0.55) | IDO1MDM4TP53MDM2 | |
| SCHEMBL30261869 | 0.84 | MDM4 (0.55) | IDO1MDM4TP53MDM2 | |
| SCHEMBL46349 | 0.84 | MDM4 (0.55) | IDO1MDM4TP53MDM2 | |
| SCHEMBL3722284 | 0.84 | MDM4 (0.55) | IDO1MDM4TP53MDM2 | |
| SCHEMBL29400614 | 0.84 | MDM4 (0.55) | IDO1MDM4TP53MDM2 | |
| SCHEMBL29362906 | 0.84 | MDM4 (0.55) | IDO1MDM4TP53MDM2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |