Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | PPARA | Q07869 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1519961 | 0.87 | KMT2A (0.52) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL1519959 | 0.87 | KMT2A (0.52) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL27756525 | 0.82 | KMT2A (0.48) | KMT2APPARGPPARAMEN1EPHX2 | |
| SCHEMBL27766109 | 0.78 | CTSS (0.47) | KMT2ALMNAPPARGPPARAMEN1 | |
| SCHEMBL191891 | 0.76 | PPARG (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL2685513 | 0.76 | PPARG (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL191892 | 0.76 | PPARG (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL3660504 | 0.76 | KMT2A (0.44) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL1915429 | 0.76 | KMT2A (0.52) | KMT2APPARGPPARAMEN1EPHX2 | |
| SCHEMBL1915428 | 0.76 | KMT2A (0.52) | KMT2APPARGPPARAMEN1EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101460461-A | Process for preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carboxylic acids | HOFFMANN LA ROCHE (CH) | 2009-06-17 | — | — | CN | claimed |
| CN-101460461-A | Process for preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carboxylic acids | HOFFMANN LA ROCHE (CH) | 2009-06-17 | — | — | CN | disclosed |