Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.57 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5056468 | 0.89 | CYP2A6 (0.50) | NFE2L2ACHECYP2A6KDM4ESMN1; SMN2 | |
| SCHEMBL8364378 | 0.89 | TRPA1 (0.45) | NFE2L2KMT2ATRPA1RAB9A | |
| SCHEMBL21179476 | 0.87 | CYP2A6 (0.48) | NFE2L2ACHECYP2A6KDM4ESMN1; SMN2 | |
| SCHEMBL16178490 | 0.80 | MAPT (0.49) | KMT2AMEN1TRPA1ALDH1A1HTT | |
| SCHEMBL16225102 | 0.79 | LMNA (0.44) | KMT2AMEN1TRPA1HTTLMNA | |
| SCHEMBL5360664 | 0.79 | NFE2L2 (0.61) | NFE2L2KMT2AMEN1CYP2A6ALDH1A1 | |
| SCHEMBL3241749 | 0.79 | LMNA (0.42) | ACHEBCHECYP2A6ALDH1A1HTT | |
| SCHEMBL654153 | 0.79 | NFE2L2 (0.52) | NFE2L2ACHEKMT2AMEN1BCHE | |
| SCHEMBL8210813 | 0.79 | NFE2L2 (0.52) | NFE2L2KMT2AMEN1TRPA1CYP2A6 | |
| SCHEMBL1987774 | 0.79 | MAOB (0.46) | ACHEBCHECYP2A6ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1278737-B1 | PROCESS AND INTERMEDIATES FOR MAKING SUBSTITUTED ASPARTIC ACID ACETALS | VERTEX PHARMA (US) | 2010-06-30 | — | — | EP | claimed |