Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9263874 | 0.98 | PTGS2 (0.58) | PTGS2GAAPTGS1NPC1RAB9A | |
| SCHEMBL9270917 | 0.89 | PTGS2 (0.51) | PTGS2GAAPTGS1NPC1RAB9A | |
| SCHEMBL9266156 | 0.89 | PTGS2 (0.51) | PTGS2GAAPTGS1NPC1RAB9A | |
| SCHEMBL9265538 | 0.89 | PTGS2 (0.52) | PTGS2GAAPTGS1CA1CA2 | |
| SCHEMBL9265870 | 0.88 | PTGS2 (0.64) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL9266616 | 0.87 | PTGS2 (0.49) | PTGS2GAAPTGS1NPC1RAB9A | |
| SCHEMBL9267423 | 0.84 | PTGS2 (0.56) | PTGS2GAAALDH1A1 | |
| SCHEMBL9267689 | 0.83 | PTGS2 (0.57) | PTGS2ALDH1A1 | |
| SCHEMBL9268153 | 0.82 | PTGS2 (0.45) | PTGS2PTGS1 | |
| SCHEMBL9261161 | 0.81 | PTGS2 (0.60) | PTGS2GAAPTGS1RAB9AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5403934-A | Heterocyclic compounds | BURROUGHS WELLCOME CO. (US) | 1995-04-04 | — | — | US | disclosed |
| WO-1991013873-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-19 | — | — | WO | disclosed |
| EP-0447164-A1 | Heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-18 | — | — | EP | disclosed |