Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.64 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | GALR3 | O60755 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11348210 | 1.00 | GAA (0.64) | GAAHTTCYP1A2CYP2C19GALR3 | |
| SCHEMBL11350840 | 0.96 | GAA (0.62) | GAAHTTCYP1A2CYP2C19GALR3 | |
| SCHEMBL11350839 | 0.96 | GAA (0.62) | GAAHTTCYP1A2CYP2C19GALR3 | |
| SCHEMBL11336691 | 0.93 | GAA (0.59) | GAAHTTCYP1A2CYP2C19GALR3 | |
| SCHEMBL11336709 | 0.93 | GAA (0.59) | GAAHTTCYP1A2CYP2C19GALR3 | |
| Glycine SCHEMBL11341764 | 0.88 | GAA (0.53) | GAAHTTCYP1A2CYP2C19GALR3 | |
| SCHEMBL11334966 | 0.86 | GAA (0.61) | GAAHTTCYP1A2CYP2C19GALR3 | |
| SCHEMBL11334968 | 0.86 | GAA (0.61) | GAAHTTCYP1A2CYP2C19GALR3 | |
| Glycine SCHEMBL11337199 | 0.82 | GAA (0.57) | GAAHTTCYP1A2CYP2C19GALR3 | |
| SCHEMBL11501150 | 0.79 | GAA (0.46) | GAAHTTCYP1A2CYP2C19GALR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4284791-A | Combating fungi with N-chloroacetyl-N-(2,6-di-substituted phenyl)-alanine esters | BAYER AKTIENGESELLSCHAFT (DE) | 1981-08-18 | — | — | US | disclosed |