Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | LYPLA1 | O75608 | 1/20 | 0.33 |
| ▸ | LYPLA2 | O95372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9366283 | 1.00 | CYP2C19 (0.46) | CYP2C19MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14816387 | 1.00 | CYP2C19 (0.46) | CYP2C19MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30934054 | 1.00 | CYP2C19 (0.46) | CYP2C19MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9253225 | 1.00 | CYP2C19 (0.46) | CYP2C19MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9365663 | 1.00 | CYP2C19 (0.46) | CYP2C19MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6724770 | 0.98 | APP (0.44) | CYP2C19MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4750570 | 0.90 | — | — | |
| SCHEMBL28438321 | 0.88 | APP (0.44) | CYP2C19MAPTCYP1A2CYP2D6CYP2C9 | |
| Benzene SCHEMBL27390163 | 0.85 | EPHX2 (0.42) | CYP2C19MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5708005 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5391726-A | Preparation of giant ring compounds | THE DOW CHEMICAL COMPANY (US) | 1995-02-21 | — | — | US | disclosed |