Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.35 |
| ▸ | F12 | P00748 | 4/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20179716 | 0.91 | GPR88 (0.34) | GPR88F12ALOX5ALDH1A1GAA | |
| SCHEMBL20179718 | 0.84 | F12 (0.31) | F12ALDH1A1SMN1; SMN2 | |
| SCHEMBL20179646 | 0.76 | GAA (0.43) | GPR88ALDH1A1GAANPSR1TSHR | |
| SCHEMBL20179717 | 0.76 | TSHR (0.40) | ALOX5ALDH1A1GAANPSR1TSHR | |
| SCHEMBL20179645 | 0.63 | GPR88 (0.41) | GPR88ALOX5ALDH1A1GAANPSR1 | |
| SCHEMBL20179732 | 0.59 | USP2 (0.45) | ALDH1A1GAANPSR1TSHRSMN1; SMN2 | |
| SCHEMBL20179555 | 0.59 | HPGD (0.62) | GPR88ALDH1A1GAANPSR1TSHR | |
| SCHEMBL6076695 | 0.59 | KMT2A (0.66) | ALDH1A1GAATSHRPOLBKMT2A | |
| SCHEMBL20363266 | 0.58 | GAA (0.63) | ALDH1A1GAANPSR1TSHRSMN1; SMN2 | |
| SCHEMBL17712437 | 0.57 | GAA (0.61) | ALDH1A1GAANPSR1TSHRSMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2018093695-A1 | FACTOR XIIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |