Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | TP53 | P04637 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | PKM | P14618 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | PPARG | P37231 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29325700 | 0.95 | ALDH1A1 (0.53) | ALDH1A1TP53TSHRMAPTPKM | |
| SCHEMBL24709164 | 0.84 | ALDH1A1 (0.55) | ALDH1A1TP53TSHRMAPTPKM | |
| SCHEMBL10692831 | 0.84 | ALDH1A1 (0.54) | ALDH1A1TP53TSHRMAPTPKM | |
| SCHEMBL10692834 | 0.84 | ALDH1A1 (0.54) | ALDH1A1TP53TSHRMAPTPKM | |
| SCHEMBL4461646 | 0.83 | MAPT (0.57) | ALDH1A1TP53TSHRMAPTPKM | |
| SCHEMBL12517400 | 0.83 | ALDH1A1 (0.60) | ALDH1A1TP53TSHRMAPTPKM | |
| SCHEMBL10350238 | 0.83 | ALDH1A1 (0.60) | ALDH1A1TP53TSHRMAPTPKM | |
| SCHEMBL11244572 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TP53TSHRMAPTPKM | |
| SCHEMBL11244567 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TP53TSHRMAPTPKM | |
| SCHEMBL9483425 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TP53TSHRMAPTPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0256586-B1 | PROCESS FOR THE PREPARATION OF ESTERS OF 4-(2,3-EPOXYPROPOXY)PHENYLACETIC ACID AND 4-(2-HYDROXY-3-ISOPROPYLAMINO-PROPOXY)PHENYLACETIC ACID AND/OR ATENOLOL IN STEREOSPECIFIC FORM | GIST-BROCADES N.V. (NL) | 1992-05-13 | — | — | EP | disclosed |
| EP-0256586-A1 | Process for the preparation of esters of 4-(2,3-epoxypropoxy)phenylacetic acid and 4-(2-hydroxy-3-isopropylamino-propoxy)phenylacetic acid and/or atenolol in stereospecific form | GIST-BROCADES N.V. (NL) | 1988-02-24 | — | — | EP | disclosed |