Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.64 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.44 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.42 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8518356 | 0.88 | ABCB11 (0.54) | ABCB11PTGS2ALDH1A1CYP1A2SMN1; SMN2 | |
| SCHEMBL8518493 | 0.82 | ABCB11 (0.60) | ABCB11PTGS2ALDH1A1CYP1A2SMN1; SMN2 | |
| SCHEMBL10904826 | 0.81 | PTGS2 (0.76) | ABCB11PTGS2ALDH1A1CYP1A2SMN1; SMN2 | |
| SCHEMBL10905147 | 0.80 | PTGS2 (0.74) | ABCB11PTGS2ALDH1A1CYP1A2SMN1; SMN2 | |
| Zomepirac SCHEMBL11495798 | 0.79 | PTGS2 (1.00) | ABCB11PTGS2ALDH1A1CYP1A2SMN1; SMN2 | |
| Zomepirac SCHEMBL25735 | 0.79 | PTGS2 (1.00) | ABCB11PTGS2ALDH1A1CYP1A2SMN1; SMN2 | |
| SCHEMBL8519486 | 0.78 | ABCB11 (0.61) | ABCB11PTGS2ALDH1A1CYP1A2SMN1; SMN2 | |
| SCHEMBL11612598 | 0.78 | PTGS2 (0.74) | ABCB11PTGS2ALDH1A1CYP1A2SMN1; SMN2 | |
| Zomepirac SCHEMBL9655800 | 0.78 | PTGS2 (0.97) | ABCB11PTGS2ALDH1A1CYP1A2SMN1; SMN2 | |
| Zomepirac SCHEMBL28350948 | 0.78 | PTGS2 (0.97) | ABCB11PTGS2ALDH1A1CYP1A2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5952368-A | AN INHIBITORS OF PROSTAGLANDIN G/H SYNTHASE, ANTIINFLAMMATORY AND ANALGESIC AGENTS | SYNTEX (U.S.A.) INC. (US) | 1999-09-14 | — | — | US | disclosed |