Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.78 |
| ▸ | THPO | P40225 | 1/20 | 0.78 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.76 |
| ▸ | LMNA | P02545 | 1/20 | 0.76 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.34 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | TERT | O14746 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9585626 | 0.99 | PMP22 (0.78) | CYP1A2CYP3A4THPOPMP22LMNA | |
| SCHEMBL6866198 | 0.88 | CYP1A2 (1.00) | CYP1A2CYP3A4THPOPMP22LMNA | |
| SCHEMBL9586566 | 0.87 | CYP1A2 (0.60) | CYP1A2CYP3A4THPOPMP22LMNA | |
| SCHEMBL9585836 | 0.87 | CYP1A2 (0.74) | CYP1A2CYP3A4THPOPMP22LMNA | |
| Hydrochloric Acid SCHEMBL1665880 | 0.87 | LMNA (1.00) | CYP1A2CYP3A4THPOPMP22LMNA | |
| Hydrochloric Acid SCHEMBL9585703 | 0.86 | PMP22 (0.74) | CYP1A2CYP3A4THPOPMP22LMNA | |
| SCHEMBL9586484 | 0.84 | CYP1A2 (0.63) | CYP1A2CYP3A4THPOPMP22LMNA | |
| Hydrochloric Acid SCHEMBL9586454 | 0.84 | PMP22 (0.75) | CYP1A2CYP3A4THPOPMP22LMNA | |
| Hydrochloric Acid SCHEMBL9586753 | 0.83 | PMP22 (0.64) | CYP1A2CYP3A4THPOPMP22LMNA | |
| SCHEMBL9586621 | 0.81 | CYP1A2 (0.73) | CYP1A2CYP3A4THPOPMP22LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5011849-A | Monoamine oxidase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 1991-04-30 | — | — | US | claimed |
| 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 |