Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 9/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | MAOB | P27338 | 7/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | MAOA | P21397 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL11096708 | 0.94 | RAB9A (0.60) | ACHEKDM4EALDH1A1HPGDCYP1A2 | |
| Hydrochloric Acid SCHEMBL9211944 | 0.83 | ACHE (0.63) | ACHEKDM4EALDH1A1HPGDCYP1A2 | |
| Hydrochloric Acid SCHEMBL9214965 | 0.82 | ACHE (0.64) | ACHEKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL26743702 | 0.82 | HPGD (0.78) | ACHEKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL28026514 | 0.82 | MAOB (0.70) | ACHEKDM4EALDH1A1HPGDRAB9A | |
| SCHEMBL11101571 | 0.82 | BCHE (0.48) | ACHEMAOBMAOA | |
| SCHEMBL5617745 | 0.81 | ACHE (0.88) | ACHERAB9AMAOBMAOA | |
| Hydrochloric Acid SCHEMBL9215490 | 0.81 | ACHE (0.69) | ACHEKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL8835422 | 0.81 | ACHE (0.63) | ACHEKDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL28287387 | 0.81 | KDM4E (0.62) | ACHEKDM4EALDH1A1HPGDCYP1A2 |
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-4427680-A | ANTHISTAMINES | BOEHRINGER MANNHEIM GMBH (DE) | 1984-01-24 | — | — | US | disclosed |
| US-4330549-A | Coumarins connected via an oxyalkyl group with a piperidine ring having anti-allergic action | BOEHRINGER MANNHEIM GMBH (DE) | 1982-05-18 | — | — | US | disclosed |
| EP-0013894-B1 | ARYLETHERS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | Roche Diagnostics GmbH (DE) | 1982-02-03 | — | — | EP | disclosed |
| EP-0013894-A1 | Arylethers, process for their preparation and medicines containing them | Roche Diagnostics GmbH (DE) | 1980-08-06 | — | — | EP | disclosed |