Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PTPRB | P23467 | 1/20 | 0.40 |
| ▸ | CDC25A | P30304 | 1/20 | 0.40 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | PTEN | P60484 | 1/20 | 0.40 |
| ▸ | PTPMT1 | Q8WUK0 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10980509 | 0.86 | KEAP1 (0.46) | CYP2D6SMN1; SMN2PTPRBCDC25ACDC25B | |
| SCHEMBL1207329 | 0.83 | KEAP1 (0.61) | TRPV1SMN1; SMN2PTPRBCDC25ACDC25B | |
| SCHEMBL28184245 | 0.81 | CYP2D6 (0.51) | TRPV1CYP1A2CYP2D6CYP2C19THPO | |
| SCHEMBL10386674 | 0.81 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C19THPORAB9A | |
| SCHEMBL3252805 | 0.79 | PLAAT3 (0.55) | SMN1; SMN2FFAR1ALDH1A1PLAAT3PLAAT5 | |
| SCHEMBL2491917 | 0.78 | MAOA (0.55) | PTPRBCDC25ACDC25BPTENPTPMT1 | |
| SCHEMBL14027395 | 0.78 | CYP4F2 (0.44) | RAB9APTPRBCDC25ACDC25BPTEN | |
| SCHEMBL1447034 | 0.78 | TAAR1 (0.53) | FFAR1 | |
| SCHEMBL3962652 | 0.78 | TAAR1 (0.53) | RAB9AIDO1LMNAFFAR1MAPT | |
| SCHEMBL5824610 | 0.78 | TAAR1 (0.53) | LMNAFFAR1ALDH1A1 |
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-2020108481-A1 | THIAMINE COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF | 上海日馨生物科技有限公司 | 2020-06-04 | — | — | WO | disclosed |