Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10976321 | 0.90 | CYP19A1 (0.47) | AKR1C3CYP19A1HTTALDH1A1GLA | |
| SCHEMBL10976324 | 0.90 | CYP19A1 (0.47) | AKR1C3CYP19A1HTTALDH1A1GLA | |
| SCHEMBL3033607 | 0.88 | AKR1C3 (0.67) | AKR1C3CYP19A1HTTALDH1A1GLA | |
| SCHEMBL3033605 | 0.88 | AKR1C3 (0.67) | AKR1C3CYP19A1HTTALDH1A1GLA | |
| Hydrochloric Acid SCHEMBL1058186 | 0.86 | AKR1C3 (0.64) | AKR1C3CYP19A1HTTALDH1A1GLA | |
| Hydrochloric Acid SCHEMBL1058183 | 0.86 | AKR1C3 (0.64) | AKR1C3CYP19A1HTTALDH1A1GLA | |
| SCHEMBL28741095 | 0.83 | CYP19A1 (0.42) | AKR1C3CYP19A1HTTALDH1A1GLA | |
| SCHEMBL502895 | 0.82 | AKR1C3 (0.53) | AKR1C3HTTALDH1A1GLAPOLB | |
| SCHEMBL502894 | 0.82 | AKR1C3 (0.53) | AKR1C3HTTALDH1A1GLAPOLB | |
| SCHEMBL4605744 | 0.82 | AKR1C3 (0.76) | AKR1C3HTTALDH1A1GLATDP1 |
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 6 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 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 | AKR1C3 723/4885CYP19A1 2098/4885HTT 3729/4885 |
| US-20080269201-A1 | Azepane- or Azocane-Substituted Pyrazoline Derivatives, Their Preparation and Use as Medicaments | AZI2, CYP3A43, ALPI | AKR1C3 752/4885CYP19A1 671/4885HTT 3441/4885 |
| US-20090054509-A1 | Octahydropentalene-Substituted Pyrazoline Derivatives, Their Prepartion and Use as Medicaments | CYP11B2, OTC, OAT | AKR1C3 533/4885CYP19A1 266/4885HTT 3346/4885 |
| US-20090131497-A1 | INDOLINE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | IDO1, PIR, INMT | AKR1C3 2388/4885CYP19A1 1162/4885HTT 1787/4885 |
“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.