Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CCL5 | P13501 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4689575 | 0.79 | CCR5 (0.47) | KDM4ECYP2C19RIPK1LMNAMAPK1 | |
| SCHEMBL5229817 | 0.78 | CCR5 (0.42) | RIPK1ALDH1A1TDP1CCR5CNR1 | |
| SCHEMBL5235073 | 0.77 | CHRNB2 (0.53) | RIPK1ALDH1A1SMN1; SMN2L3MBTL1GAA | |
| Cyclopentane SCHEMBL4694323 | 0.74 | CCR5 (0.54) | CCL5CCR5 | |
| SCHEMBL5234052 | 0.73 | PKM (0.46) | KDM4ECYP2C19MAPK1ALDH1A1HPGD | |
| SCHEMBL5235643 | 0.73 | CHRNB2 (0.53) | KDM4ECYP2C19LMNAMAPK1ALDH1A1 | |
| SCHEMBL5235854 | 0.73 | PARP1 (0.37) | CYP2C19MAPK1HPGDTDP1 | |
| SCHEMBL5237872 | 0.73 | CCL5 (0.40) | CYP2C19LMNAMAPK1ALDH1A1HPGD | |
| SCHEMBL5234640 | 0.72 | HCRTR1 (0.52) | MAPK1ALDH1A1 | |
| SCHEMBL5233454 | 0.72 | DPP4 (0.49) | ALDH1A1HPGDHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |