Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYTH2 | Q99418 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GHSR | Q92847 | 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 | |
|---|---|---|---|---|
| SCHEMBL8505677 | 0.89 | ALDH1A1 (0.41) | PTGS2FFAR4ALDH1A1CYP2C9TSHR | |
| SCHEMBL8505452 | 0.88 | HPGD (0.46) | PTGS2FFAR4ALDH1A1KMT2AHPGD | |
| SCHEMBL8504469 | 0.85 | TSHR (0.48) | PTGS2FFAR4ALDH1A1CYP2C9TSHR | |
| Benzenesulfonamide SCHEMBL8525170 | 0.84 | PTGS1 (0.44) | PTGS2FFAR4ALDH1A1TSHRKMT2A | |
| SCHEMBL8502413 | 0.84 | POLB (0.44) | FFAR4ALDH1A1CYP2C9TSHRCYTH2 | |
| SCHEMBL8502466 | 0.83 | CYP2C9 (0.53) | PTGS2FFAR4ALDH1A1CYP2C9TSHR | |
| SCHEMBL8502313 | 0.82 | ALDH1A1 (0.49) | FFAR4ALDH1A1CYP2C9KMT2ACYP2C19 | |
| SCHEMBL8524922 | 0.82 | ALDH1A1 (0.46) | PTGS2ALDH1A1CYP2C9TSHRKMT2A | |
| SCHEMBL8504989 | 0.82 | CYP2C9 (0.53) | PTGS2FFAR4ALDH1A1CYP2C9KMT2A | |
| SCHEMBL8506063 | 0.80 | CYP2C9 (0.51) | FFAR4ALDH1A1CYP2C9CYTH2KMT2A |
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 |