Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL28917858 | 1.00 | NPSR1 (0.51) | NPSR1ALDH1A1CA12CA9MAPT | |
| Hydrochloric Acid SCHEMBL21815189 | 0.78 | CA12 (0.50) | NPSR1ALDH1A1CA12CA9MAPT | |
| Hydrochloric Acid SCHEMBL21815187 | 0.78 | CA12 (0.50) | NPSR1ALDH1A1CA12CA9MAPT | |
| SCHEMBL29012793 | 0.77 | ALDH1A1 (0.51) | NPSR1ALDH1A1CA12CA9MAPT | |
| SCHEMBL29012791 | 0.77 | ALDH1A1 (0.51) | NPSR1ALDH1A1CA12CA9MAPT | |
| SCHEMBL1273992 | 0.76 | CA12 (0.51) | NPSR1ALDH1A1CA12CA9MAPT | |
| SCHEMBL22216426 | 0.76 | CA12 (0.51) | NPSR1ALDH1A1CA12CA9MAPT | |
| SCHEMBL22216369 | 0.76 | ALDH1A1 (0.53) | NPSR1ALDH1A1CA12CA9MAPT | |
| SCHEMBL9659771 | 0.76 | CA12 (0.51) | NPSR1ALDH1A1CA12CA9MAPT | |
| SCHEMBL22216274 | 0.76 | CA12 (0.51) | NPSR1ALDH1A1CA12CA9MAPT |
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-113164454-A | Inhibitors of VAP-1 | 奥克塞拉有限公司 | 2021-07-23 | — | — | CN | disclosed |