Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.43 |
| ▸ | OXTR | P30559 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8502466 | 0.90 | CYP2C9 (0.53) | TSHRPTGS2MEN1ALDH1A1PKM | |
| SCHEMBL8504989 | 0.88 | CYP2C9 (0.53) | PTGS2MAPTMEN1ALDH1A1PKM | |
| SCHEMBL8506063 | 0.86 | CYP2C9 (0.51) | MEN1ALDH1A1PKMKMT2AGAA | |
| SCHEMBL8502313 | 0.86 | ALDH1A1 (0.49) | MEN1ALDH1A1PKMKMT2AGAA | |
| SCHEMBL8505563 | 0.85 | PTGS2 (0.50) | TSHRPTGS2ALDH1A1PKMKMT2A | |
| SCHEMBL8506143 | 0.85 | PTGS2 (0.50) | PTGS2MAPTMEN1ALDH1A1KMT2A | |
| SCHEMBL8504978 | 0.83 | ALDH1A1 (0.50) | TSHRMAPTMEN1ALDH1A1PKM | |
| SCHEMBL8503404 | 0.83 | POLB (0.56) | MAPTMEN1ALDH1A1PKMKMT2A | |
| SCHEMBL8504133 | 0.83 | KLKB1 (0.43) | TSHRALDH1A1PKMKMT2AGAA | |
| SCHEMBL8505516 | 0.83 | CYP2C9 (0.50) | TSHRMEN1ALDH1A1KMT2ACYP2C9 |
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 2 patents. 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 | claimed |
| 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 |