Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA6 | P23280 | 2/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7215974 | 0.76 | PTGS2 (0.55) | CA1CA2CA12CA9PTGS2 | |
| SCHEMBL8505098 | 0.76 | PTGS2 (0.52) | PTGES2CA1CA2CA12CA9 | |
| SCHEMBL8250269 | 0.71 | SLC18A3 (0.43) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL28244347 | 0.70 | GAA (0.40) | ALDH1A1CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL8503387 | 0.69 | PTGS2 (0.44) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL8347239 | 0.69 | CA2 (0.58) | CA1CA2CA12CA9CYP2C9 | |
| SCHEMBL1080972 | 0.67 | CA2 (0.61) | CA1CA2CA12CA9CYP2C9 | |
| SCHEMBL11163075 | 0.65 | SLC18A3 (0.34) | ALDH1A1MEN1KMT2A | |
| SCHEMBL28919430 | 0.65 | ALDH1A1 (0.43) | ALDH1A1TSHRKMT2ACYP1A2SMN1; SMN2 | |
| SCHEMBL8505826 | 0.65 | PTGS2 (0.44) | PTGES2CA1CA2CA12CA9 |
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-5935990-A | PYRROLYL DERIVATIVES HAVING AT POSITION 1 OR 5 A PHENYL SUBSTITUTED WITH METHYLSULFONYL OR AMINOSULFONYL; INHIBIT CYCLOOXYGENASE-2 FOR USE TREATMENT OF INFLAMMATION, AS AN ANALGESIC, OR AS AN ANTIPYRETIC | G.D. SEARLE & CO. (US) | 1999-08-10 | — | — | US | disclosed |