Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2059607 | 0.84 | TSHR (0.77) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| SCHEMBL5318594 | 0.83 | CES2 (0.59) | TSHRL3MBTL1TDP1TP53CES2 | |
| SCHEMBL4735018 | 0.83 | TSHR (0.60) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| SCHEMBL16047911 | 0.83 | TSHR (0.81) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| SCHEMBL3862290 | 0.83 | TSHR (0.60) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| SCHEMBL5597642 | 0.82 | TSHR (0.55) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| Hydrochloric Acid SCHEMBL6923875 | 0.81 | TSHR (0.58) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| SCHEMBL2059634 | 0.79 | TSHR (0.78) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| SCHEMBL6057099 | 0.78 | ALDH1A1 (0.79) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| SCHEMBL9342127 | 0.78 | ALDH1A1 (0.79) | TSHRL3MBTL1TDP1CYP3A4MAPK1 |
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-2007078176-A1 | THE METHOD OF MAKING OPTICALLY ACTIVE 2-CHLOROMANDELIC ACID ESTERS AND 2-CHLOROMANDELIC ACIDS BY ENZYMATIC METHOD | ENZYTECH, LTD. (KR) | 2007-07-12 | — | — | WO | disclosed |