Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8518215 | 0.80 | PTGS2 (0.59) | SLC6A3SLC6A2CHRNB4CHRNA3TSHR | |
| SCHEMBL7540175 | 0.76 | PTGS2 (0.50) | SLC6A3SLC6A2PTGS2 | |
| SCHEMBL29788033 | 0.75 | TAAR1 (0.61) | NPC1TP53TSHRNFKB1RAB9A | |
| SCHEMBL170231 | 0.75 | TAAR1 (0.61) | NPC1TP53TSHRNFKB1RAB9A | |
| SCHEMBL8653245 | 0.75 | PTGS2 (0.54) | SLC6A3SLC6A2CHRNB4CHRNA3NPC1 | |
| Water SCHEMBL11024520 | 0.73 | TAAR1 (0.59) | NPC1TP53TSHRNFKB1RAB9A | |
| SCHEMBL16394095 | 0.73 | TAAR1 (0.65) | NPC1TP53TSHRNFKB1RAB9A | |
| SCHEMBL5539603 | 0.73 | TAAR1 (0.59) | NPC1TP53TSHRNFKB1RAB9A | |
| Hydrogen Sulfide SCHEMBL9316307 | 0.73 | TAAR1 (0.59) | NPC1TP53TSHRNFKB1RAB9A | |
| SCHEMBL31139395 | 0.73 | TAAR1 (0.59) | NPC1TP53TSHRNFKB1RAB9A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0743938-B1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 1999-04-21 | — | — | EP | disclosed |
| EP-0724566-B1 | 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 1998-10-07 | — | — | EP | disclosed |
| US-5736579-A | ANTIARTHRITIC, ANTIPYRETIC AND ANALGESIC AGENTS | G.D. SEARLE & CO. (US) | 1998-04-07 | — | — | US | disclosed |
| US-5663180-A | ANTIARTHRITIC, ANTIINFLAMMATORY AGENTS | G.D. SEARLE & CO. (US) | 1997-09-02 | — | — | US | disclosed |
| EP-0743938-A1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-11-27 | — | — | EP | disclosed |
| EP-0724566-A1 | 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995021817-A1 | SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-08-17 | — | — | WO | disclosed |
| US-5420287-A | 1,2 diarylcyclopentenyl compounds for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1995-05-30 | — | — | US | disclosed |
| WO-1995011883-A1 | 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-05-04 | — | — | WO | disclosed |
| US-5393790-A | Diphenyl- or phenyl/pyridyl-substituted spiroheptenes, -octenes,-nonenes or -decenes; cyclooxygenase II inhibitors; side effect reduction; antipyretics; antiarthritic agents | G.D. SEARLE & CO. (US) | 1995-02-28 | — | — | US | disclosed |
| US-5344991-A | Sulfonyl or sulfamyl derivatives for treatment of arthritis and pain | G.D. SEARLE & CO. (US) | 1994-09-06 | — | — | US | disclosed |