Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.34 |
| ▸ | EGLN3 | Q9H6Z9 | 2/20 | 0.34 |
| ▸ | VEGFA | P15692 | 2/20 | 0.34 |
| ▸ | FLT1 | P17948 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | TET3 | O43151 | 1/20 | 0.34 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9587616 | 0.88 | CYP1A2 (0.58) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| SCHEMBL9586508 | 0.87 | CYP1A2 (0.48) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| SCHEMBL9586484 | 0.87 | CYP1A2 (0.63) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| Hydrochloric Acid SCHEMBL9586753 | 0.86 | PMP22 (0.64) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| SCHEMBL9586566 | 0.84 | CYP1A2 (0.60) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| SCHEMBL9586973 | 0.84 | CYP1A2 (0.51) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| SCHEMBL9586119 | 0.82 | KDM4E (0.60) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| SCHEMBL9585560 | 0.81 | CYP1A2 (0.60) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| SCHEMBL10432936 | 0.81 | CYP1A2 (0.41) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| SCHEMBL9587747 | 0.80 | CNR1 (0.43) | CYP1A2CYP3A4THPOLMNAPMP22 |
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 |
|---|---|---|---|---|---|---|---|
| US-5204482-A | Ethylenediamine monoamide heteroaryl derivatives | HOFFMAN-LAROCHE INC. (US) | 1993-04-20 | — | — | US | disclosed |
| US-5011849-A | Monoamine oxidase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 1991-04-30 | — | — | US | disclosed |