Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
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 | 0.83 | CHRNB2 (0.44) | TSHRKMT2AMEN1SMN1; SMN2L3MBTL1 | |
| SCHEMBL4694475 | 0.82 | SMN1; SMN2 (0.47) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5238361 | 0.82 | HPGD (0.43) | HPGDRAB9AL3MBTL1PARP1 | |
| SCHEMBL5236254 | 0.79 | PLA2G10 (0.41) | CYP3A4CYP2C9CYP2C19PARP1 | |
| SCHEMBL5233538 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HPGDNPC1TSHRSMN1; SMN2 | |
| SCHEMBL4694593 | 0.79 | ALDH1A1 (0.41) | ALDH1A1HPGDRAB9AL3MBTL1HCRTR1 | |
| SCHEMBL5230954 | 0.78 | GABRD (0.42) | ALDH1A1RAB9ATSHRKMT2AL3MBTL1 | |
| SCHEMBL5235769 | 0.77 | CHRNA4 (0.47) | ALDH1A1KMT2AMEN1POLB | |
| SCHEMBL5236638 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5231026 | 0.76 | HPGD (0.42) | ALDH1A1HPGDNPC1KMT2AMEN1 |
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 |