Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4081261 | 0.93 | ALDH1A1 (0.57) | TP53TSHRMAPTALDH1A1HPGD | |
| SCHEMBL4902039 | 0.93 | ALDH1A1 (0.57) | TP53TSHRMAPTALDH1A1HPGD | |
| Ethane SCHEMBL4436620 | 0.85 | ALDH1A1 (0.62) | TP53TSHRMAPTALDH1A1HPGD | |
| SCHEMBL2446420 | 0.84 | TDP1 (0.66) | TP53TSHRMAPTALDH1A1HPGD | |
| SCHEMBL11464933 | 0.84 | ALDH1A1 (0.54) | TP53TSHRMAPTALDH1A1HPGD | |
| SCHEMBL29151515 | 0.83 | ALDH1A1 (0.62) | TP53TSHRMAPTALDH1A1HPGD | |
| SCHEMBL7576096 | 0.83 | TDP1 (0.56) | TP53TSHRMAPTALDH1A1HPGD | |
| SCHEMBL8981438 | 0.82 | ALDH1A1 (0.58) | TP53TSHRMAPTALDH1A1HPGD | |
| SCHEMBL3871705 | 0.81 | TDP1 (0.66) | TP53TSHRMAPTALDH1A1HPGD | |
| SCHEMBL732382 | 0.80 | TDP1 (0.56) | TP53TSHRMAPTALDH1A1HPGD |
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-6252113-B1 | O-ETHERIFICATION OF P-(2-METHOXYETHYL)-PHENOL WITH AQUEOUS EPICHLOROHYDRIN, EVAPORATION OF EXCESS EPICHLOROHYDRIN, DISTILLATION, THEN AMINATION WITH ISOPROPYLAMINE TO YIELD METOPROLOL PRODUCT | ASTRAZENECA AB (SE) | 2001-06-26 | — | — | US | disclosed |