Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL14949000 | 0.78 | MAPT (0.59) | CTSKGAANPSR1ALDH1A1TSHR | |
| SCHEMBL20179555 | 0.75 | HPGD (0.62) | CTSKGAANPSR1ALDH1A1TSHR | |
| SCHEMBL1163822 | 0.75 | CTSK (0.60) | CTSKGAAALDH1A1TSHRMAPT | |
| SCHEMBL1107021 | 0.73 | GAA (0.62) | GAANPSR1ALDH1A1TSHRMAPT | |
| SCHEMBL20179646 | 0.72 | GAA (0.43) | CTSKGAANPSR1ALDH1A1TSHR | |
| SCHEMBL10253878 | 0.72 | GAA (0.60) | GAANPSR1ALDH1A1TSHRMAPT | |
| SCHEMBL20179460 | 0.71 | USP2 (0.43) | GAANPSR1ALDH1A1TSHRMAPT | |
| SCHEMBL28170735 | 0.71 | ALDH1A1 (0.56) | CTSKGAANPSR1ALDH1A1TSHR | |
| SCHEMBL20363266 | 0.70 | GAA (0.63) | CTSKGAANPSR1ALDH1A1TSHR | |
| SCHEMBL24805790 | 0.70 | MAPT (0.57) | GAANPSR1ALDH1A1TSHRMAPT |
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-2018093695-A1 | FACTOR XIIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |