Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 3/20 | 0.35 |
| ▸ | VDR | P11473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 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 | |
|---|---|---|---|---|
| SCHEMBL732840 | 0.85 | ALDH1A1 (0.73) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL3956224 | 0.79 | ALDH1A1 (0.74) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL7966731 | 0.79 | ALDH1A1 (0.74) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL7966736 | 0.79 | ALDH1A1 (0.74) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL21066083 | 0.78 | ALDH1A1 (0.59) | ALDH1A1GLATP53TSHRHIF1A | |
| Ethane SCHEMBL8645440 | 0.77 | ALDH1A1 (0.72) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL7091411 | 0.77 | ALDH1A1 (0.49) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL11591476 | 0.75 | ALDH1A1 (0.63) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL28045904 | 0.74 | ALDH1A1 (0.61) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL15346506 | 0.74 | ALDH1A1 (0.61) | ALDH1A1GLATP53TSHRHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002006250-A1 | SUBSTITUTED ARYLSULFIDES, ARYLSULFOXIDES AND ARYLSULFONES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS | WYETH (US) | 2002-01-24 | — | — | WO | disclosed |