Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | THPO | P40225 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9586082 | 0.99 | PMP22 (0.66) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| SCHEMBL9586654 | 0.89 | CYP1A2 (0.52) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| Hydrochloric Acid SCHEMBL9586465 | 0.85 | PMP22 (0.58) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| SCHEMBL9585750 | 0.85 | CYP1A2 (0.69) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| Hydrochloric Acid SCHEMBL9586968 | 0.85 | PMP22 (0.58) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| Hydrochloric Acid SCHEMBL9586702 | 0.84 | LMNA (0.70) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| SCHEMBL9586621 | 0.83 | CYP1A2 (0.73) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| Hydrochloric Acid SCHEMBL9587334 | 0.82 | LMNA (0.55) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| Hydrochloric Acid SCHEMBL9587453 | 0.82 | PMP22 (0.74) | CYP1A2CYP3A4THPOLMNAPMP22 | |
| Hydrochloric Acid SCHEMBL9586483 | 0.81 | PMP22 (0.59) | 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 3 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 |
| EP-0352581-A2 | Ethylene diaminmonoamide derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1990-01-31 | — | — | EP | disclosed |