Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | IARS1 | P41252 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11003187 | 0.84 | APP (0.55) | ALDH1A1KDM4EMITFHTTAPP | |
| SCHEMBL11079181 | 0.81 | HSP90AA1 (0.60) | BCHEACHEHSP90AA1HSP90AB1THRB | |
| SCHEMBL11080030 | 0.81 | GAA (0.64) | ALDH1A1KDM4EHTTGAATHRB | |
| SCHEMBL29639801 | 0.80 | ABL1 (0.47) | ALDH1A1HTTGAAABL1RIN1 | |
| SCHEMBL11273025 | 0.77 | PTGS1 (0.48) | ALDH1A1KDM4EMITFHTTAPP | |
| SCHEMBL10239569 | 0.75 | THRB (0.46) | ALDH1A1GAACYP1A2CYP2D6THRB | |
| SCHEMBL14240762 | 0.75 | APP (0.44) | ALDH1A1KDM4EMITFHTTAPP | |
| SCHEMBL6694246 | 0.74 | THRB (0.58) | CYP2D6ACHETHRBRORCALOX15 | |
| SCHEMBL30484233 | 0.74 | THRB (0.58) | CYP2D6ACHETHRBRORCALOX15 | |
| Ammonia Solution, Strong SCHEMBL11077793 | 0.74 | THRB (0.44) | ALDH1A1GAACYP1A2CYP2D6THRB |
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-4435397-A | ADRENERGIC BLOCKING AGENTS, 4-(3-ARYLOXY-2-HYDROXYPROPYL) SUBSTITUTED | NIPPON SHINYAKU CO., LTD. (JP) | 1984-03-06 | — | — | US | disclosed |