Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 6/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5232788 | 0.89 | CHRNB2 (0.44) | SMN1; SMN2MEN1KMT2APOLBUSP2 | |
| SCHEMBL5238361 | 0.88 | HPGD (0.43) | HTTHPGDHSD17B10 | |
| SCHEMBL5236254 | 0.85 | PLA2G10 (0.41) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5233538 | 0.84 | ALDH1A1 (0.47) | SMN1; SMN2HTTPOLBALDH1A1HPGD | |
| SCHEMBL4694593 | 0.84 | ALDH1A1 (0.41) | ALDH1A1HPGD | |
| SCHEMBL5232235 | 0.84 | HCRTR2 (0.54) | CYP1A2 | |
| SCHEMBL5237741 | 0.84 | HCRTR1 (0.44) | — | |
| SCHEMBL5230954 | 0.83 | GABRD (0.42) | HTTKMT2APOLBALDH1A1TSHR | |
| SCHEMBL4692729 | 0.83 | HCRTR1 (0.44) | — | |
| SCHEMBL5235769 | 0.82 | CHRNA4 (0.47) | MEN1KMT2APOLBALDH1A1 |
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 1 patent. 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 | disclosed |