Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.49 |
| ▸ | F3 | P13726 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL502731 | 1.00 | THRB (0.51) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL20500020 | 0.89 | AKR1C3 (0.62) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL1237225 | 0.89 | AKR1C3 (0.62) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL1237224 | 0.89 | AKR1C3 (0.62) | THRBATMALDH1A1KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL9445569 | 0.87 | AKR1C3 (0.60) | THRBATMALDH1A1KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL9445568 | 0.87 | AKR1C3 (0.60) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL2443290 | 0.83 | ALDH1A1 (0.55) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL2443292 | 0.83 | ALDH1A1 (0.55) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL28021701 | 0.81 | ALDH1A1 (0.49) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL23079100 | 0.80 | ALDH1A1 (0.52) | THRBATMALDH1A1KDM4EMAPT |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8106085-B2 | Indoline-substituted pyrazoline derivatives, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-01-31 | — | — | US | disclosed |
| US-7994200-B2 | Central nervous system disorders; respiratory system disorders; sexual or reproductive disorders; eating disorders; antidiabetic agents; cardiovascular disorders; anticancer agents | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-08-09 | — | — | US | disclosed |
| US-20090131497-A1 | INDOLINE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2009-05-21 | — | — | US | disclosed |
| US-20090054509-A1 | Octahydropentalene-Substituted Pyrazoline Derivatives, Their Prepartion and Use as Medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2009-02-26 | — | — | US | disclosed |
| US-20080293797-A1 | Cycloalkane-Substituted Pyrazoline Derivatives, Their Preparation and Use as Medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2008-11-27 | — | — | US | disclosed |
| US-20080269201-A1 | Azepane- or Azocane-Substituted Pyrazoline Derivatives, Their Preparation and Use as Medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2008-10-30 | — | — | US | disclosed |
| EP-1946777-A1 | Substituted pyrazoline for preventing weight gain | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | disclosed |
| EP-1946777-A1 | Substituted pyrazoline for preventing weight gain | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | disclosed |
| EP-1946778-A1 | Active substance combination for the treatment of diabetes | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | disclosed |
| EP-1946778-A1 | Active substance combination for the treatment of diabetes | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | disclosed |
| EP-1910339-A2 | AZEPANE- OR AZOCANE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | Laboratorios del Dr. Esteve S.A. (ES) | 2008-04-16 | — | — | EP | disclosed |
| US-20070073056-A1 | 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-03-29 | — | — | US | disclosed |
| US-20070073056-A1 | 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-03-29 | — | — | US | disclosed |
| US-20070073056-A1 | 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-03-29 | — | — | US | disclosed |
| WO-2007009723-A2 | AZEPANE- OR AZOCANE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2007-01-25 | — | — | WO | disclosed |
| WO-2007009689-A1 | 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR.ESTEVE, S.A. (ES) | 2007-01-25 | — | — | 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 (5 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-20080293797-A1 | Cycloalkane-Substituted Pyrazoline Derivatives, Their Preparation and Use as Medicaments | PIGO, BDKRB2, FPR1 | THRB 3404/4885ATM 1407/4885ALDH1A1 796/4885 |
| US-20070073056-A1 | 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments | P2RX4, PIR, P2RY4 | THRB 3789/4885ATM 1584/4885ALDH1A1 1573/4885 |
| US-20080269201-A1 | Azepane- or Azocane-Substituted Pyrazoline Derivatives, Their Preparation and Use as Medicaments | AZI2, CYP3A43, ALPI | THRB 4370/4885ATM 1138/4885ALDH1A1 1065/4885 |
| US-20090054509-A1 | Octahydropentalene-Substituted Pyrazoline Derivatives, Their Prepartion and Use as Medicaments | CYP11B2, OTC, OAT | THRB 2349/4885ATM 2149/4885ALDH1A1 451/4885 |
| US-20090131497-A1 | INDOLINE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | IDO1, PIR, INMT | THRB 2922/4885ATM 1120/4885ALDH1A1 1539/4885 |
“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.