Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ketorolac. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 8/20 | 0.66 |
| ▸ | PTGS1 known ✓ | P23219 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | BLM | P54132 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | CDC42 | P60953 | 4/20 | 0.52 |
| ▸ | RAC1 | P63000 | 4/20 | 0.52 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Ketorolac SCHEMBL7193656 | 0.93 | PTGS2 (0.60) | PTGS2CYP1A2ABCC4HTTBLM | |
| Ketorolac SCHEMBL5036 | 0.81 | PTGS2 (1.00) | PTGS2CYP1A2ABCC4HTTBLM | |
| Ketorolac SCHEMBL977126 | 0.81 | PTGS2 (1.00) | PTGS2CYP1A2ABCC4HTTBLM | |
| Ketorolac SCHEMBL6378057 | 0.81 | PTGS2 (1.00) | PTGS2CYP1A2ABCC4HTTBLM | |
| Ketorolac SCHEMBL7889476 | 0.80 | PTGS2 (0.98) | PTGS2CYP1A2ABCC4HTTBLM | |
| Ketoprofen SCHEMBL3264420 | 0.78 | PTGS2 (0.60) | PTGS2CYP1A2ABCC4HTTBLM | |
| Ketoprofen SCHEMBL7991457 | 0.78 | PTGS2 (0.69) | PTGS2CYP1A2ABCC4HTTBLM | |
| Ketorolac SCHEMBL17606885 | 0.76 | PTGS2 (0.58) | PTGS2CYP1A2ABCC4HTTBLM | |
| Anirolac SCHEMBL17378021 | 0.76 | PTGS2 (0.71) | PTGS2CYP1A2ABCC4HTTBLM | |
| Anirolac SCHEMBL38909 | 0.76 | PTGS2 (0.71) | PTGS2CYP1A2ABCC4HTTBLM |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8471067-B2 | Stereoselective preparation of P-chiral four-co-ordinated phosphorus compound (o-Tolylphenylmethylphosphine oxide) by reacting chiral alcohol, chiral amine or chiral thiol, with P-chiral three-co-ordinated phosphorus compound, in presence of electrophile | UNIVERSITY COLLEGE DUBLIN (IE) | 2013-06-25 | — | — | US | disclosed |
| WO-2012113889-A1 | PROCESSES FOR THE STEREOSELECTIVE PREPARATION OF P-CHIRAL FOUR -COORDINATED PHOSPHORUS BORANE COMPOUNDS AND P-CHIRAL THREE-COORDINATED PHOSPHORUS COMPOUNDS | UNIVERSITY COLLEGE DUBLIN (IE) | 2012-08-30 | — | — | WO | disclosed |
| US-8067642-B2 | Chiral phosphorous compounds | Celtice Catalysts Limited, Nova UCD (IE) | 2011-11-29 | — | — | US | disclosed |
| US-20100168456-A1 | CHIRAL PHOSPHOROUS COMPOUNDS | CELTIC CATALYSTS LIMITED (IE) | 2010-07-01 | — | — | US | disclosed |
| WO-2010004278-A1 | METHOD FOR INCREASING THE ENANTIOMERIC EXCESS OF CHIRAL PHOSPHINE OXIDES, SULPHIDES, IMIDES AND BORANES | CELTIC CATALYSTS LIMITED (IE) | 2010-01-14 | — | — | WO | disclosed |
| EP-2139905-A2 | CHIRAL DIPHOSPINES, METHODS FOR THEIR PREPARATION, TRANSITION METAL COMPLEXES COMPRISING THEM AND USE IN CHIRAL SYNTHESIS | Celtic Catalysts Limited (IE) | 2010-01-06 | — | — | EP | disclosed |
| US-20080255391-A1 | Chiral Phosphorus Compounds | UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND (IE) | 2008-10-16 | — | — | US | disclosed |
| WO-2008117054-A2 | CHIRAL DIPHOSPHINES, METHODS FOR THEIR PREPARATION, TRANSITION METAL COMPLEXES COMPRISING THEM AND USE IN CHIRAL SYNTHESIS | CELTIC CATALYSTS LIMITED (IE) | 2008-10-02 | — | — | WO | disclosed |
| EP-1751170-A1 | CHIRAL PHOSPHORUS COMPOUNDS | UNIVERSITY COLLEGE DUBLIN (IE) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005118603-A1 | CHIRAL PHOSPHORUS COMPOUNDS | UNIVERSITY COLLEGE DUBLIN (IE) | 2005-12-15 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100168456-A1 | CHIRAL PHOSPHOROUS COMPOUNDS | RPP30, PLCB3, INPP5D | PTGS2 2818/4885PTGS1 2897/4885CYP1A2 2307/4885 |
| US-20080255391-A1 | Chiral Phosphorus Compounds | PHOSPHO1, PNKP, PTMS | PTGS2 2973/4885PTGS1 2614/4885CYP1A2 1624/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.