Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 SCHEMBL10345286 | 0.99 | TSHR (0.49) | TSHRCYP3A4TDP1DRD2ALDH1A1 | |
| SCHEMBL10345242 | 0.79 | CYP2D6 (0.55) | TSHRCYP3A4ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10345025 | 0.78 | CYP2D6 (0.54) | TSHRCYP3A4ALDH1A1MEN1KMT2A | |
| SCHEMBL28914522 | 0.75 | ALDH1A1 (0.45) | TDP1ALDH1A1MEN1LMNAKMT2A | |
| SCHEMBL10345158 | 0.72 | CYP3A4 (0.50) | TSHRCYP3A4ALDH1A1MEN1KMT2A | |
| SCHEMBL18785455 | 0.71 | DPP7 (0.43) | TSHRTDP1MEN1KMT2ADRD4 | |
| SCHEMBL25599411 | 0.70 | NPC1 (0.42) | TDP1DRD2ALDH1A1DRD4OPRM1 | |
| SCHEMBL7953412 | 0.70 | CHRNA7 (0.37) | TSHRCYP3A4ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL3443283 | 0.69 | HRH3 (0.51) | TSHRCYP3A4DRD2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL10345271 | 0.69 | CHRNA7 (0.37) | TSHRCYP3A4ALDH1A1CYP1A2CYP2D6 |
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 |