Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HTR6 | P50406 | 7/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27839256 | 0.91 | HPGD (0.57) | MAPTRECQLPOLBALDH1A1SMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27890393 | 0.90 | MAPT (0.75) | MAPTRECQLPOLBALDH1A1SMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27925820 | 0.87 | MAPT (0.49) | MAPTRECQLPOLBALDH1A1SMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27945511 | 0.87 | MAPT (0.51) | MAPTRECQLPOLBALDH1A1SMN1; SMN2 | |
| SCHEMBL28954967 | 0.85 | MAPT (0.75) | MAPTRECQLPOLBALDH1A1SMN1; SMN2 | |
| SCHEMBL30307826 | 0.85 | MAPT (0.75) | MAPTRECQLPOLBALDH1A1SMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27714034 | 0.84 | SIRT6 (0.71) | MAPTRECQLPOLBALDH1A1SMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL28024441 | 0.82 | HTR1A (0.56) | MAPTRECQLPOLBALDH1A1CYP1A2 | |
| Tert-Butyl Formate SCHEMBL27944974 | 0.81 | ADRB1 (0.45) | MAPTRECQLPOLBALDH1A1SMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27703771 | 0.80 | MAPT (0.51) | MAPTRECQLPOLBALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115551850-A | Small molecule inhibitors of galectin-3 | 百时美施贵宝公司 | 2022-12-30 | — | — | CN | disclosed |