Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.47 |
| ▸ | HTR6 | P50406 | 2/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 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 | |
|---|---|---|---|---|
| SCHEMBL29942639 | 1.00 | AKR1C3 (0.47) | AKR1C3HTR6AKR1C2PDE10AMTNR1A | |
| SCHEMBL29162329 | 0.90 | HTR6 (0.40) | AKR1C3HTR6AKR1C2PDE10AMTNR1A | |
| SCHEMBL18386657 | 0.85 | AKR1C3 (0.48) | AKR1C3HTR6AKR1C2PDE10AMTNR1A | |
| SCHEMBL29992656 | 0.84 | AKR1C3 (0.47) | AKR1C3HTR6AKR1C2PDE10AMTNR1A | |
| SCHEMBL1357445 | 0.84 | AKR1C3 (0.47) | AKR1C3HTR6AKR1C2PDE10AMTNR1A | |
| SCHEMBL29992688 | 0.84 | AKR1C3 (0.47) | AKR1C3HTR6AKR1C2PDE10AMTNR1A | |
| SCHEMBL14304584 | 0.83 | AKR1C3 (0.61) | AKR1C3HTR6AKR1C2PDE10AMTNR1A | |
| SCHEMBL29954772 | 0.83 | AKR1C3 (0.46) | AKR1C3HTR6AKR1C2PDE10AMTNR1A | |
| SCHEMBL1778702 | 0.83 | AKR1C3 (0.46) | AKR1C3HTR6AKR1C2PDE10AMTNR1A | |
| SCHEMBL31555881 | 0.83 | KDM4E (0.48) | AKR1C3HTR6AKR1C2PDE10AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008014249-A2 | IMPROVED PREPARATIONS OF 2 -SUBSTITUTED PYRROLO [2, 3-B] PYRAZINE ( 4, 7 -DIAZAINDOLE ) COMPOUNDS | SANOFI-AVENTIS (FR) | 2008-01-31 | — | — | WO | disclosed |