Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | NAALAD2 | Q9Y3Q0 | 3/20 | 0.35 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28231142 | 0.83 | EPHX1 (0.44) | EPHX1MEN1GAAKMT2AKCNA5 | |
| SCHEMBL7882078 | 0.81 | MEN1 (0.65) | GABRR1CYP1A2EPHX1MEN1GAA | |
| SCHEMBL15723436 | 0.81 | MEN1 (0.65) | GABRR1CYP1A2EPHX1MEN1GAA | |
| SCHEMBL45626 | 0.81 | MEN1 (0.65) | GABRR1CYP1A2EPHX1MEN1GAA | |
| SCHEMBL5949707 | 0.80 | EPHX1 (0.48) | EPHX1GAAKCNA5 | |
| SCHEMBL24754803 | 0.78 | GABRR1 (0.54) | GABRR1CYP1A2BLMACE2LTA4H | |
| SCHEMBL22195180 | 0.78 | SLC1A1 (0.43) | CYP1A2EPHX1MEN1GAAKMT2A | |
| Hydrochloric Acid SCHEMBL21518377 | 0.76 | GGT1 (0.42) | CYP1A2EPHX1KMT2ABLM | |
| Hydrochloric Acid SCHEMBL21518376 | 0.76 | GGT1 (0.42) | CYP1A2EPHX1KMT2ABLM | |
| SCHEMBL6120869 | 0.76 | EPHX1 (0.41) | EPHX1MEN1GAAKMT2AKCNA5 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001039941-A | NEW OPTICALLY ACTIVE 4-AMINO-2-METHYL BUTYRIC ACID DERIVATIVE AND ITS PREPARATION | MITSUBISHI RAYON CO LTD | 2001-02-13 | — | — | JP | disclosed |