Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.32 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8051434 | 0.77 | MRGPRX4 (0.52) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL9128670 | 0.77 | MRGPRX4 (0.52) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL11242408 | 0.76 | ACHE (0.45) | ALDH1A1CYP3A4LMNAHTR2AHTR2B | |
| SCHEMBL9537613 | 0.75 | ALDH1A1 (0.50) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL15692718 | 0.74 | ACHE (0.46) | ALDH1A1CYP3A4LMNAHTR2AHTR2B | |
| SCHEMBL11243636 | 0.74 | ABCB1 (0.47) | ALDH1A1TP53TSHRABCB1SLC6A4 | |
| SCHEMBL15692861 | 0.72 | ACHE (0.46) | ALDH1A1CYP3A4LMNAHTR2AHTR2B | |
| SCHEMBL11805028 | 0.70 | ALDH1A1 (0.48) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL8057578 | 0.70 | PARP1 (0.49) | ALDH1A1GLATP53CYP3A4TSHR | |
| SCHEMBL15746305 | 0.70 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2LMNAHTR2AHTR2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4322437-A | Spiro substituted indanones and tetralones | SANDOZ LTD. (CH) | 1982-03-30 | — | — | US | disclosed |