Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 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 | |
|---|---|---|---|---|
| SCHEMBL5091923 | 1.00 | TDP1 (0.45) | TDP1LMNACES2SMN1; SMN2ESR1 | |
| SCHEMBL1883113 | 0.90 | CES2 (0.41) | TDP1LMNACES2SMN1; SMN2RAB9A | |
| SCHEMBL6483375 | 0.86 | MMP1 (0.42) | TDP1SMN1; SMN2ESR1ESR2NPC1 | |
| SCHEMBL1068302 | 0.83 | GAA (0.48) | LMNAKMT2AGAAALDH1A1DDB1 | |
| Ammonia Solution, Strong SCHEMBL9774304 | 0.82 | GAA (0.47) | LMNAKMT2AGAAALDH1A1DDB1 | |
| SCHEMBL148443 | 0.80 | GPBAR1 (0.46) | TDP1SMN1; SMN2NPC1RAB9AMAPK1 | |
| SCHEMBL660307 | 0.80 | GAA (0.43) | LMNAKMT2AGAAALDH1A1DDB1 | |
| SCHEMBL1949591 | 0.78 | LMNA (0.41) | LMNANPC1 | |
| SCHEMBL975944 | 0.78 | GAA (0.39) | LMNACES2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2957623 | 0.78 | GAA (0.39) | LMNACES2SMN1; SMN2NPC1RAB9A |
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-2009094577-A2 | MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE | XENOPORT, INC. (US) | 2009-07-30 | — | — | WO | disclosed |