Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13086580 | 0.94 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2TP53KDM4EPTGS2 | |
| SCHEMBL13086302 | 0.90 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2TP53KDM4EPTGS2 | |
| Oxalic Acid SCHEMBL2779906 | 0.86 | PTGS2 (0.51) | ALDH1A1SMN1; SMN2TP53KDM4EPTGS2 | |
| Oxalic Acid SCHEMBL2779908 | 0.86 | PTGS2 (0.51) | ALDH1A1SMN1; SMN2TP53KDM4EPTGS2 | |
| Oxalic Acid SCHEMBL2780299 | 0.79 | PTGS2 (0.51) | ALDH1A1SMN1; SMN2KDM4EPTGS2USP2 | |
| Oxalic Acid SCHEMBL2780296 | 0.79 | PTGS2 (0.51) | ALDH1A1SMN1; SMN2KDM4EPTGS2USP2 | |
| SCHEMBL13086283 | 0.77 | PTGS2 (0.40) | ALDH1A1SMN1; SMN2KDM4EPTGS2GAA | |
| SCHEMBL13236601 | 0.77 | PTGS2 (0.46) | ALDH1A1SMN1; SMN2KDM4EPTGS2GAA | |
| SCHEMBL13086407 | 0.77 | PTGS2 (0.39) | ALDH1A1SMN1; SMN2KDM4EPTGS2GAA | |
| SCHEMBL13086303 | 0.77 | PTGS2 (0.39) | ALDH1A1SMN1; SMN2KDM4EPTGS2GAA |
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-2010118968-A1 | NO-DONOR ASPIRIN DERIVATIVES | NICOX S.A. (FR) | 2010-10-21 | — | — | WO | disclosed |