Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL7976129 | 0.95 | ALDH1A1 (0.45) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL7973415 | 0.93 | NAAA (0.46) | ALDH1A1HCAR2TSHRNAAAZDHHC7 | |
| SCHEMBL2863922 | 0.93 | ALDH1A1 (0.50) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL7062892 | 0.89 | ALDH1A1 (0.47) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL27835345 | 0.89 | ALDH1A1 (0.50) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL7971276 | 0.88 | NAAA (0.47) | ALDH1A1HCAR2TSHRNAAAEPHX1 | |
| SCHEMBL8063053 | 0.87 | NAAA (0.48) | ALDH1A1ATMHCAR2TSHRNAAA | |
| SCHEMBL2868281 | 0.87 | ALDH1A1 (0.52) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL29189036 | 0.85 | NAAA (0.52) | ALDH1A1HCAR2TSHRNAAAZDHHC7 | |
| SCHEMBL29188997 | 0.85 | NAAA (0.52) | ALDH1A1HCAR2TSHRNAAAZDHHC7 |
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 |
|---|---|---|---|---|---|---|---|
| US-6172234-B1 | Optically active cyclic amino acid ester derivatives and processes for producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-01-09 | — | — | US | disclosed |
| EP-0976729-A1 | Optically active cyclic amino acid ester derivatives and processes for producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-02-02 | — | — | EP | disclosed |