Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 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 | |
|---|---|---|---|---|
| SCHEMBL16290265 | 0.86 | CYP19A1 (0.43) | ALDH1A1CYP1A2MEN1KMT2ACYP3A4 | |
| SCHEMBL8844843 | 0.85 | TSHR (0.41) | ALDH1A1CYP1A2ESR1CYP3A4ESR2 | |
| SCHEMBL8844840 | 0.85 | TSHR (0.41) | ALDH1A1CYP1A2ESR1CYP3A4ESR2 | |
| SCHEMBL27506956 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CYP1A2MEN1THRBKMT2A | |
| SCHEMBL11279155 | 0.75 | BCHE (0.46) | ALDH1A1CYP1A2MEN1KMT2AESR1 | |
| SCHEMBL28773067 | 0.73 | ALDH1A1 (0.45) | ALDH1A1CYP1A2MEN1THRBKMT2A | |
| SCHEMBL11649341 | 0.73 | ALDH1A1 (0.53) | ALDH1A1CYP1A2ESR1CYP3A4ESR2 | |
| SCHEMBL9614708 | 0.72 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2AESR1CYP3A4 | |
| SCHEMBL27496397 | 0.72 | NAPRT (0.40) | ALDH1A1CYP1A2MEN1KMT2ACYP3A4 | |
| SCHEMBL28583888 | 0.72 | ESR1 (0.46) | ALDH1A1CYP1A2MEN1KMT2AESR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5661014-A | Chiral compounds and their resolution synthesis using enantioselective esterases | CHIROSCIENCE LIMITED (GB) | 1997-08-26 | — | — | US | disclosed |
| EP-0599959-A1 | CHIRAL GLUTARATE ESTERS, THEIR RESOLUTION AND DERIVED GLUTARIMIDE COMPOUNDS | Chiroscience Limited (GB) | 1994-06-08 | — | — | EP | disclosed |
| WO-1993004058-A1 | CHIRAL GLUTARATE ESTERS, THEIR RESOLUTION AND DERIVED GLUTARIMIDE COMPOUNDS | CHIROSCIENCE LIMITED (GB) | 1993-03-04 | — | — | WO | disclosed |