Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11338314 | 1.00 | MAPK1 (0.47) | MAPK1TSHRNLRP3CA12CA1 | |
| SCHEMBL11341222 | 0.96 | MAPK1 (0.44) | MAPK1TSHRNLRP3CA12CA1 | |
| SCHEMBL11341225 | 0.96 | MAPK1 (0.44) | MAPK1TSHRNLRP3CA12CA1 | |
| Glycine SCHEMBL11343520 | 0.92 | MAPK1 (0.41) | MAPK1TSHRNLRP3CA12CA1 | |
| SCHEMBL11347040 | 0.90 | HTT (0.43) | MAPK1TSHRNLRP3HPGDHTT | |
| SCHEMBL11339694 | 0.90 | NLRP3 (0.46) | MAPK1NLRP3POLBHPGDKDM4E | |
| SCHEMBL11347039 | 0.90 | HTT (0.43) | MAPK1TSHRNLRP3HPGDHTT | |
| SCHEMBL11339692 | 0.90 | NLRP3 (0.46) | MAPK1NLRP3POLBHPGDKDM4E | |
| Glycine SCHEMBL11349593 | 0.89 | MAPK1 (0.39) | MAPK1TSHRNLRP3CA12CA1 | |
| SCHEMBL11341287 | 0.87 | HTT (0.41) | MAPK1NLRP3HPGDKDM4EHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1587943-A1 | METHOD FOR PREPARING A (R)- OR (S)- FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE AND A COUNTER ENANTIOMERIC FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE ESTER THERETO USING ENZYME | LG Life Sciences Ltd. (KR) | 2005-10-26 | — | — | EP | disclosed |
| WO-2004055195-A1 | METHOD FOR PREPARING A (R)- OR (S)- FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE AND A COUNTER ENANTIOMERIC FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE ESTER THERETO USING ENZYME | LG LIFE SCIENCES LTD. (KR) | 2004-07-01 | — | — | WO | disclosed |
| US-4284791-A | Combating fungi with N-chloroacetyl-N-(2,6-di-substituted phenyl)-alanine esters | BAYER AKTIENGESELLSCHAFT (DE) | 1981-08-18 | — | — | US | disclosed |