Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13154538 | 0.85 | ALDH1A1 (0.46) | NPSR1ALDH1A1KMT2ACA12CA4 | |
| SCHEMBL13154540 | 0.83 | RBP4 (0.53) | NPSR1ALDH1A1KMT2AGRIN1GRIN2B | |
| SCHEMBL17549763 | 0.74 | MAPK1 (0.63) | ALDH1A1KMT2AGAAPOLBTHRB | |
| SCHEMBL13154595 | 0.73 | ALDH1A1 (0.48) | ALDH1A1KMT2AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL6404409 | 0.73 | KDM4E (0.49) | ALDH1A1KMT2AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL2963432 | 0.73 | CYP2C19 (0.56) | NPSR1ALDH1A1GAAPOLBTHRB | |
| SCHEMBL7217728 | 0.72 | ALDH1A1 (0.52) | NPSR1ALDH1A1KMT2AGRIN2DGRIN3B | |
| SCHEMBL5032627 | 0.71 | GRIN2D (0.60) | ALDH1A1KMT2AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL13159623 | 0.71 | IDO1 (0.44) | ALDH1A1KMT2AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL22793508 | 0.70 | TTR (0.43) | NPSR1ALDH1A1KMT2ACA12CA4 |
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-2010119992-A1 | DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-10-21 | — | — | WO | disclosed |