Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | BACE1 | P56817 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 7/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6876872 | 0.98 | ALDH1A1 (0.50) | ALDH1A1BACE1MEN1KMT2AMAPT | |
| SCHEMBL17816443 | 0.83 | ACHE (0.40) | ALDH1A1BACE1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL14345864 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2AMAPTLMNA | |
| SCHEMBL10821843 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2AMAPTLMNA | |
| SCHEMBL900934 | 0.79 | BACE1 (0.43) | ALDH1A1BACE1MEN1KMT2AMAPT | |
| SCHEMBL8165999 | 0.79 | ALDH1A1 (0.39) | ALDH1A1BACE1MEN1KMT2AMAPT | |
| SCHEMBL10052629 | 0.79 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2AMAPTLMNA | |
| SCHEMBL14325319 | 0.79 | MEN1 (0.42) | ALDH1A1MEN1KMT2AMAPTLMNA | |
| SCHEMBL3466564 | 0.78 | ACHE (0.43) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL8280908 | 0.78 | FFAR4 (0.43) | ALDH1A1KMT2AMAPTSMN1; SMN2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-2914597-B1 | PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC (JP) | 2017-12-06 | — | — | EP | disclosed |