Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 11/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 9/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
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 SCHEMBL9133371 | 0.99 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9131297 | 0.90 | ADRB3 (0.42) | ADRB3ADRB2ADRB1 | |
| SCHEMBL9504939 | 0.86 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9445087 | 0.85 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9445105 | 0.85 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9445117 | 0.85 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9445108 | 0.85 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9445102 | 0.85 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL9133377 | 0.85 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2TP53CYP1A2CYP3A4 | |
| SCHEMBL9504910 | 0.81 | ALDH1A1 (0.52) | 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 |
|---|---|---|---|---|---|---|---|
| US-5405872-A | Anti-hypertensive tetralins | BURROUGHS WELLCOME CO. (US) | 1995-04-11 | — | — | US | claimed |
| WO-1992005143-A1 | ANTI-HYPERTENSIVE TETRALINS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-04-02 | — | — | WO | claimed |