Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL10975697 | 0.98 | KDM4E (0.52) | CHRM2CHRM3KDM4EALDH1A1TDP1 | |
| Oxalic Acid SCHEMBL10979061 | 0.87 | KDM4E (0.53) | CHRM2CHRM3KDM4EALDH1A1TDP1 | |
| Oxalic Acid SCHEMBL10345209 | 0.87 | KDM4E (0.53) | CHRM2CHRM3KDM4EALDH1A1TDP1 | |
| SCHEMBL10345276 | 0.85 | DRD4 (0.50) | CHRM2CHRM3KDM4EALDH1A1TDP1 | |
| SCHEMBL10345304 | 0.85 | DRD2 (0.50) | CHRM2CHRM3KDM4EALDH1A1TDP1 | |
| Acetic Acid SCHEMBL10974566 | 0.82 | CHRM2 (0.54) | CHRM2CHRM3KDM4EALDH1A1TDP1 | |
| SCHEMBL10345330 | 0.80 | DRD2 (0.55) | CHRM2CHRM3KDM4EALDH1A1TDP1 | |
| SCHEMBL10345149 | 0.79 | CHRM2 (0.53) | CHRM2CHRM3KDM4EALDH1A1TDP1 | |
| SCHEMBL10345569 | 0.77 | CHRM2 (0.58) | CHRM2CHRM3KDM4EALDH1A1TDP1 | |
| SCHEMBL28011453 | 0.74 | CYP2D6 (0.53) | CHRM2CHRM3ALDH1A1DRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0152236-B1 | ARYLOXYMETHYLPYRROLIDINOLS AND PIPERIDINOLS HAVING ANTIDEPRESSANT, ANTIARHYTHMIC OR HYPOTENSIVE ACTIVITY | A.H. ROBINS COMPANY, INCORPORATED (US) | 1990-04-18 | — | — | EP | claimed |
| EP-0152236-A2 | Aryloxymethylpyrrolidinols and piperidinols having antidepressant, antiarhythmic or hypotensive activity | A.H. ROBINS COMPANY, INCORPORATED (US) | 1985-08-21 | — | — | EP | claimed |
| US-4508724-A | Aryloxymethylpyrrolidinols and piperidinols having antidepressant, antiarrhythmic or hypotensive activity | A. H. ROBINS COMPANY, INC. (US) | 1985-04-02 | — | — | US | claimed |