Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL7495373 | 0.96 | PTGS2 (1.00) | PTGS2PTGS1 | |
| Hydrochloric Acid SCHEMBL8328212 | 0.95 | PTGS2 (0.97) | PTGS2PTGS1 | |
| SCHEMBL8190564 | 0.84 | PTGS2 (0.77) | PTGS2PTGS1 | |
| SCHEMBL8331000 | 0.80 | PTGS2 (0.73) | PTGS2PTGS1 | |
| SCHEMBL4575404 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL3822946 | 0.79 | PTGS2 (0.87) | PTGS2PTGS1 | |
| SCHEMBL8326217 | 0.79 | PTGS2 (0.70) | PTGS2PTGS1 | |
| SCHEMBL8654024 | 0.79 | PTGS2 (0.69) | PTGS2PTGS1 | |
| SCHEMBL18876343 | 0.76 | PTGS2 (0.76) | PTGS2PTGS1 | |
| SCHEMBL8331164 | 0.76 | PTGS2 (1.00) | PTGS2PTGS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5922742-A | NOVEL COMPOUNDS ACT AS ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, AND ANALGESICS AND WOULD INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS WITHOUT MECHANISM-BASED SIDE EFFECTS | MERCK FROSST CANADA (CA) | 1999-07-13 | — | — | US | disclosed |
| EP-0900201-A1 | PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997040012-A1 | PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-10-30 | — | — | WO | disclosed |