Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL11406038 | 0.84 | PTGS2 (0.46) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL11406035 | 0.84 | PTGS2 (0.46) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL11408493 | 0.82 | NFE2L2 (0.47) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL11408505 | 0.82 | NFE2L2 (0.47) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL1163846 | 0.81 | CYP1A2 (0.46) | CA12CA2CA9ALDH1A1POLB | |
| SCHEMBL1163845 | 0.81 | CYP1A2 (0.46) | CA12CA2CA9ALDH1A1POLB | |
| SCHEMBL19967342 | 0.80 | MAPT (0.41) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL13832484 | 0.79 | NFE2L2 (0.53) | PTGS2CA2CA9ALDH1A1MEN1 | |
| SCHEMBL11413943 | 0.78 | ACHE (0.43) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL11413947 | 0.78 | ACHE (0.43) | PTGS2PTGS1CA12CA2CA9 |
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 |