Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11768508 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TP53TSHRMAPTHPGD | |
| SCHEMBL11770822 | 0.88 | TSHR (0.42) | ALDH1A1TP53TSHRMAPTHPGD | |
| SCHEMBL11770069 | 0.84 | ALDH1A1 (0.48) | ALDH1A1TP53TSHRMAPTHPGD | |
| SCHEMBL11770072 | 0.81 | ALDH1A1 (0.45) | ALDH1A1TP53TSHRMAPTHPGD | |
| SCHEMBL11771508 | 0.80 | TDP1 (0.44) | ALDH1A1TP53TSHRMAPTHPGD | |
| SCHEMBL11767422 | 0.79 | ALDH1A1 (0.45) | ALDH1A1TP53TSHRMAPTHPGD | |
| SCHEMBL11768372 | 0.79 | TDP1 (0.54) | ALDH1A1TP53TSHRMAPTHPGD | |
| SCHEMBL11768964 | 0.79 | TDP1 (0.54) | ALDH1A1TP53TSHRMAPTHPGD | |
| SCHEMBL9536015 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TP53TSHRMAPTHPGD | |
| SCHEMBL11770036 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TP53TSHRMAPTHPGD |
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-3940407-A | β-Adrenergic blocking agents in the 1,2,3-thiadiazole series | SYNTEX (U.S.A.) INC. (US) | 1976-02-24 | — | — | US | disclosed |