Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PTPRB | P23467 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8844840 | 1.00 | TSHR (0.41) | TSHRCYP19A1CYP17A1GAABCHE | |
| SCHEMBL8844985 | 0.85 | ALDH1A1 (0.40) | TSHRCYP19A1CYP17A1GAABCHE | |
| SCHEMBL9368728 | 0.76 | TSHR (0.43) | TSHRCYP19A1CYP17A1GAAALDH1A1 | |
| SCHEMBL16290265 | 0.74 | CYP19A1 (0.43) | TSHRCYP19A1CYP17A1ALDH1A1CYP3A4 | |
| SCHEMBL13658222 | 0.73 | CYP19A1 (0.40) | TSHRCYP19A1CYP17A1GAAALDH1A1 | |
| SCHEMBL11279155 | 0.71 | BCHE (0.46) | TSHRGAABCHEUSP2ALDH1A1 | |
| SCHEMBL27506956 | 0.70 | ALDH1A1 (0.47) | TSHRALDH1A1ESR1CYP3A4ESR2 | |
| SCHEMBL6673953 | 0.70 | KCNN4 (0.47) | GAAKCNN4CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4005855 | 0.70 | KCNN4 (0.47) | TSHRGAAKCNN4CYP3A4KDM4E | |
| SCHEMBL28773067 | 0.69 | ALDH1A1 (0.45) | TSHRCYP19A1BCHEUSP2ALDH1A1 |
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 |