Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | RBP4 | P02753 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL4691394 | 0.90 | TP53 (0.44) | ABL1KITCYP2C19TP53CYP2C9 | |
| SCHEMBL4693012 | 0.88 | NPY2R (0.51) | TP53MEN1KMT2ALMNANPY2R | |
| SCHEMBL4693622 | 0.88 | HPGD (0.44) | CYP2C19TP53CYP2C9MEN1KMT2A | |
| SCHEMBL4690182 | 0.88 | RBP4 (0.41) | ABL1KITRBP4BRAFMEN1 | |
| SCHEMBL4693167 | 0.87 | HCRTR1 (0.50) | CYP2C19CYP1A2CYP3A4CYP2D6TP53 | |
| SCHEMBL4694998 | 0.86 | TP53 (0.41) | CYP2C19TP53CYP2C9MEN1KMT2A | |
| SCHEMBL4692104 | 0.85 | HCRTR1 (0.50) | CYP2C19CYP1A2CYP3A4CYP2D6TP53 | |
| SCHEMBL4694022 | 0.85 | P2RX7 (0.47) | KMT2ANPY2R | |
| SCHEMBL4691177 | 0.84 | NPY2R (0.43) | CYP2C19CYP1A2CYP3A4TP53RXFP1 | |
| SCHEMBL4695971 | 0.84 | LMNA (0.50) | CYP2C19CYP1A2CYP3A4TP53CYP2C9 |
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-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | claimed |
| EP-1761542-A2 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | claimed |
| WO-2005121145-A2 | OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-22 | — | — | WO | claimed |
| EP-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | disclosed |