Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.44 |
| ▸ | METAP1 | P53582 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15670682 | 0.78 | ACHE (0.53) | ACHEMETAP1CYP19A1TSHRHTR1A | |
| SCHEMBL9740101 | 0.75 | ACHE (0.50) | ACHEMETAP1TDP1CYP19A1ALDH1A1 | |
| SCHEMBL3602309 | 0.75 | ACHE (0.46) | ACHEMETAP1TDP1CYP19A1ALDH1A1 | |
| SCHEMBL7078686 | 0.72 | TDP1 (0.48) | TDP1ALDH1A1GLASMN1; SMN2TSHR | |
| SCHEMBL1567503 | 0.72 | ACHE (0.58) | ACHEMETAP1TDP1CYP19A1ALDH1A1 | |
| SCHEMBL29850498 | 0.72 | ACHE (0.58) | ACHEMETAP1TDP1CYP19A1ALDH1A1 | |
| SCHEMBL9248465 | 0.71 | ACHE (0.53) | ACHEMETAP1TDP1CYP19A1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6601125 | 0.70 | ACHE (0.56) | ACHEMETAP1TDP1CYP19A1ALDH1A1 | |
| SCHEMBL10650245 | 0.70 | CYSLTR1 (0.43) | ACHEALDH1A1SMN1; SMN2TP53CYP3A4 | |
| SCHEMBL9435489 | 0.70 | TDP1 (0.37) | TDP1ALDH1A1GLASMN1; SMN2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0043971-A1 | Indanoneoxyalkylpiperazine derivatives, the preparation thereof and pharmaceutical compositions containing the same | BASF Aktiengesellschaft (DE) | 1982-01-20 | — | — | EP | disclosed |