Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.69 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | GAA | P10253 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 6/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.51 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.51 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.51 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.51 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.51 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2865596 | 0.91 | CYP1A2 (0.69) | CYP1A2MAPTALDH1A1GAAHSD17B10 | |
| SCHEMBL1886408 | 0.82 | CYP1A2 (1.00) | CYP1A2MAPTALDH1A1GAAHSD17B10 | |
| Methane SCHEMBL9753979 | 0.79 | ALDH1A1 (0.64) | MAPTALDH1A1GAAHSD17B10MEN1 | |
| Methane SCHEMBL8999429 | 0.78 | NPC1 (0.52) | CYP1A2MAPTALDH1A1GAAMEN1 | |
| SCHEMBL9453941 | 0.77 | MEN1 (0.77) | CYP1A2MAPTALDH1A1GAAHSD17B10 | |
| SCHEMBL30557461 | 0.77 | MEN1 (0.77) | CYP1A2MAPTALDH1A1GAAHSD17B10 | |
| Methane SCHEMBL1286316 | 0.77 | ALDH1A1 (0.67) | MAPTALDH1A1GAAHSD17B10MEN1 | |
| M-Xylene SCHEMBL27788949 | 0.77 | ACHE (0.63) | CYP1A2MAPTALDH1A1GAANPSR1 | |
| Benzene SCHEMBL15881255 | 0.77 | HSD17B10 (0.67) | CYP1A2ALDH1A1GAAHSD17B10MEN1 | |
| SCHEMBL11674611 | 0.77 | KMT2A (0.75) | CYP1A2MAPTALDH1A1GAAHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3232870-A | — | — | None | — | — | JP | disclosed |
| JP-H03232870-A | THIOAMIDE COMPOUND | TAISHO PHARMACEUT CO LTD | 1991-10-16 | — | — | JP | disclosed |