Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 8/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.37 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TMPRSS11D | O60235 | 1/20 | 0.36 |
| ▸ | MASP2 | O00187 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6449886 | 1.00 | KMT2A (0.40) | KMT2AST14NOS3NOS1F2 | |
| Acetic Acid SCHEMBL5037910 | 0.98 | F2 (0.41) | KMT2AST14NOS3NOS1F2 | |
| SCHEMBL5047158 | 0.91 | KMT2A (0.39) | KMT2AKDM4EMAPTTSHRALDH1A1 | |
| SCHEMBL5047161 | 0.91 | KMT2A (0.39) | KMT2AKDM4EMAPTTSHRALDH1A1 | |
| Acetic Acid SCHEMBL5042954 | 0.79 | ST14 (0.41) | ST14F2F10TPSAB1PRSS1 | |
| Acetic Acid SCHEMBL5038366 | 0.78 | ST14 (0.41) | ST14F2F10TPSAB1PRSS1 | |
| Acetic Acid SCHEMBL5047897 | 0.78 | ST14 (0.39) | ST14F2F10PRSS1MASP2 | |
| SCHEMBL6448878 | 0.77 | ST14 (0.50) | ST14F2F10TPSAB1PRSS1 | |
| SCHEMBL6448875 | 0.77 | ST14 (0.50) | ST14F2F10TPSAB1PRSS1 | |
| Acetic Acid SCHEMBL5037784 | 0.77 | F2 (0.42) | ST14F2TPSAB1PRSS1PRSS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567498-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004048335-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-10 | — | — | WO | disclosed |