Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.68 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3824723 | 0.84 | PTGS2 (0.51) | PTGS2MEN1KMT2AATMPIK3CA | |
| SCHEMBL1075370 | 0.84 | PTGS2 (0.67) | PTGS2PTGS1MEN1KMT2AATM | |
| SCHEMBL6294278 | 0.84 | PTGS2 (0.64) | PTGS2PTGS1 | |
| SCHEMBL19953204 | 0.83 | PTGS2 (0.49) | PTGS2KCNH2AOC3LMNAHSD17B10 | |
| SCHEMBL6289831 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL19953110 | 0.73 | PTGS2 (0.40) | PTGS2PTGS1KCNH2AOC3 | |
| SCHEMBL19953203 | 0.73 | PTGS2 (0.43) | PTGS2PTGS1PIK3CAKCNH2AOC3 | |
| SCHEMBL19953122 | 0.71 | HSP90AA1 (0.46) | MEN1KMT2AATMTP53KCNH2 | |
| SCHEMBL6290551 | 0.70 | PTGS2 (0.49) | PTGS2PTGS1MAPK1LMNANPC1 | |
| SCHEMBL13817453 | 0.69 | ALDH1A1 (0.73) | MEN1KMT2AATMMAPK1LMNA |
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-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |