Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2810235 | 0.90 | CYP3A4 (0.44) | CYP3A4HPGDKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL3735175 | 0.84 | CYP3A4 (0.47) | CYP3A4HPGDKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL2046049 | 0.83 | CYP3A4 (0.52) | CYP3A4HPGDKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL1257863 | 0.80 | CYP3A4 (0.50) | CYP3A4HPGDKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL1257861 | 0.80 | CYP3A4 (0.35) | CYP3A4HPGDKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL15448023 | 0.79 | ALDH1A1 (0.39) | CYP3A4HPGDKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL19570319 | 0.79 | THRB (0.40) | CYP3A4HPGDKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL20202499 | 0.79 | HSD17B10 (0.42) | CYP3A4HPGDKMT2AMEN1CYP1A2 | |
| SCHEMBL1311698 | 0.78 | ALDH1A1 (0.36) | CYP3A4SMN1; SMN2ACHEPOLBALDH1A1 | |
| SCHEMBL30054130 | 0.78 | ALDH1A1 (0.36) | CYP3A4SMN1; SMN2ACHEPOLBALDH1A1 |
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-2001096277-A1 | METHOD FOR PRODUCING 2,3,4,6-TETRAMETHYL MANDELIC ACID AND 2,3,4,6-TETRAMETHYL MANDELIC ACID ACETATE | BAYER AKTIENGESELLSCHAFT (DE) | 2001-12-20 | — | — | WO | disclosed |