Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 2/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL29879227 | 1.00 | TBXAS1 (0.51) | TBXAS1GLAKMT2AIDO1AGXT | |
| SCHEMBL600302 | 0.84 | MAPT (0.52) | CA1CA2CA12CA7CA9 | |
| SCHEMBL600301 | 0.84 | MAPT (0.52) | CA1CA2CA12CA7CA9 | |
| SCHEMBL12035649 | 0.82 | KMT2A (0.49) | TBXAS1GLAKMT2ACA1CA2 | |
| SCHEMBL29137073 | 0.82 | ALDH1A1 (0.50) | TBXAS1IDO1AGXTCA1CA2 | |
| SCHEMBL1269249 | 0.80 | GPR52 (0.57) | TBXAS1GLAKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL1269252 | 0.80 | GPR52 (0.57) | TBXAS1GLAKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL19856430 | 0.80 | ALDH1A1 (0.46) | TBXAS1GLAKMT2AHTTALDH1A1 | |
| SCHEMBL18655432 | 0.80 | ALDH1A1 (0.46) | TBXAS1GLAKMT2AHTTALDH1A1 | |
| SCHEMBL5795848 | 0.78 | IDO1 (0.61) | IDO1AGXTCA1CA2CA12 |
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-117355521-A | Heteroaryl inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-05 | — | — | CN | disclosed |