Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.47 |
| ▸ | GALR3 | O60755 | 1/20 | 0.47 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9703210 | 0.88 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9504939 | 0.84 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9133377 | 0.83 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9504910 | 0.82 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9501745 | 0.82 | ADRB2 (0.55) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9135234 | 0.81 | ADRB2 (0.54) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9503471 | 0.80 | ADRB2 (0.55) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9503520 | 0.78 | ADRB2 (0.49) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9503443 | 0.78 | ADRB2 (0.49) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9501859 | 0.78 | ADRB2 (0.49) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0549668-A1 | ANTI-HYPERTENSIVE TETRALINS | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-07-07 | — | — | EP | claimed |
| WO-1992005143-A1 | ANTI-HYPERTENSIVE TETRALINS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-04-02 | — | — | WO | claimed |