Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | GSR | P00390 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | FBP1 | P09467 | 1/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7625358 | 1.00 | CA12 (0.52) | CA12CA1CA2CA9CA14 | |
| SCHEMBL2228992 | 0.85 | CA1 (0.62) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7619212 | 0.83 | SRD5A2 (0.56) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6180942 | 0.83 | NPC1 (0.63) | NPC1RAB9APTGS2GSRKMT2A | |
| SCHEMBL6970870 | 0.81 | PTGS2 (0.53) | PTGS2GSRKMT2A | |
| SCHEMBL4772305 | 0.81 | PTGS2 (0.53) | PTGS2GSRKMT2A | |
| SCHEMBL6341279 | 0.81 | PTGS2 (0.51) | MAPTPTGS2GSR | |
| SCHEMBL8602859 | 0.81 | MAPT (0.59) | MAPTPTGS2GSR | |
| SCHEMBL14156906 | 0.81 | CA1 (0.69) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7165400 | 0.81 | TSHR (0.66) | CA1CA2LOXL2NPC1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0739340-A1 | PHENYL HETEROCYCLES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-10-30 | — | — | EP | disclosed |