Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | PDPK1 | O15530 | 6/20 | 0.58 |
| ▸ | PTGES | O14684 | 1/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | PDE5A | O76074 | 1/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CA3 | P07451 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL5693528 | 0.89 | PTGS2 (0.61) | PTGS2PTGS1CYP2C9PDPK1PTGES | |
| SCHEMBL5856388 | 0.81 | CHRNA7 (0.47) | PTGS2PTGS1ALOX5CA9 | |
| SCHEMBL5857989 | 0.81 | PTGS2 (0.56) | PTGS2PTGS1ALOX5CA9 | |
| SCHEMBL4023943 | 0.81 | PTGS2 (0.43) | PTGS2PTGS1CYP2C9HDAC3HDAC4 | |
| SCHEMBL4020138 | 0.81 | HDAC3 (0.46) | PTGS2PTGS1PDPK1HDAC3HDAC4 | |
| SCHEMBL14401040 | 0.81 | PTGS2 (0.59) | PTGS2PTGS1CYP2C9PDPK1PTGES | |
| SCHEMBL4021465 | 0.79 | PTGS2 (0.47) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL4020107 | 0.79 | MAPT (0.48) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL6342351 | 0.79 | PTGS2 (0.90) | PTGS2PTGS1CYP2C9PDPK1PTGES | |
| SCHEMBL4344518 | 0.79 | HDAC3 (0.47) | PTGS2PTGS1CYP2C9PDPK1HDAC3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE38963-E1 | Pyrazoline derivatives, their preparation and application as medicaments | LABORATORIOS DEL DR. ESTEVE (ES) | 2006-01-31 | — | — | US | claimed |
| EP-1083171-B1 | PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2004-04-28 | — | — | EP | claimed |
| US-6353117-B1 | ANTIINFLAMMATORY ACTIVITY AND DISEASES IN WHICH CYCLOOXYGENASE-2 PLAYS A PART, WITHOUT HAVING THE GASTRIC AND RENAL TOXICITY OF THE CLASSIC NONSTEROIDAL ANTIINFLAMMATORY AGENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2002-03-05 | — | — | US | claimed |
| EP-1083171-A1 | PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2001-03-14 | — | — | EP | claimed |
| US-7504519-B2 | Derivatives of pyrazoline, procedure for obtaining them and use thereof as therapeutic agents | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2009-03-17 | — | — | US | disclosed |
| US-20080021084-A1 | Derivatives Of Pyrazoline, Procedure For obtaining Them And Use Thereof As Therapeutic Agents | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2008-01-24 | — | — | US | disclosed |
| EP-1773782-A1 | DERIVATIVES OF PYRAZOLINE, PROCEDURE FOR OBTAINING THEM AND USE THEREOF AS THERAPEUTIC AGENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006011005-A1 | DERIVATIVES OF PYRAZOLINE, PROCEDURE FOR OBTAINING THEM AND USE THEREOF AS THERAPEUTIC AGENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2006-02-02 | — | — | 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 (1 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-20080021084-A1 | Derivatives Of Pyrazoline, Procedure For obtaining Them And Use Thereof As Therapeutic Agents | CYP3A5, HRH2, PTGS1 | PTGS2 44/4885PTGS1 3/4885CYP2C9 19/4885 |
“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.