Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR6 | P50406 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | MLNR | O43193 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5342259 | 0.84 | CNR2 (0.53) | HTR6CNR1CNR2 | |
| SCHEMBL4773949 | 0.78 | SCN9A (0.49) | CNR1SCN9AMAPTCNR2 | |
| SCHEMBL4882103 | 0.77 | HTR6 (0.50) | HTR1AHTR6KCNH2CNR1SLC6A2 | |
| SCHEMBL22773345 | 0.76 | APP (0.62) | HTR1AHTR6KCNH2DRD2SLC6A2 | |
| SCHEMBL29734609 | 0.76 | APP (0.62) | HTR1AHTR6KCNH2DRD2SLC6A2 | |
| SCHEMBL21381836 | 0.73 | KCNH2 (0.56) | HTR1AHTR6KCNH2CNR1MLNR | |
| SCHEMBL29511847 | 0.73 | KCNH2 (0.56) | HTR1AHTR6KCNH2CNR1MLNR | |
| SCHEMBL22491590 | 0.72 | HTR6 (0.55) | HTR1AHTR6KCNH2SLC6A2SLC6A4 | |
| SCHEMBL23211798 | 0.70 | KCNH2 (0.53) | HTR1AHTR6KCNH2CNR1MLNR | |
| SCHEMBL21385840 | 0.69 | KCNH2 (0.57) | HTR1AHTR6KCNH2CNR1MLNR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1315492-B1 | USE OF SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF ALLERGIES | ORTHO MCNEIL PHARM INC (US) | 2008-07-30 | — | — | EP | disclosed |
| US-7265102-B2 | Substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2007-09-04 | — | — | US | disclosed |
| EP-1309592-B9 | SUBSTITUTED PYRAZOLES | ORTHO MCNEIL PHARM INC (US) | 2007-02-28 | — | — | EP | disclosed |
| EP-1309592-B1 | SUBSTITUTED PYRAZOLES | ORTHO MCNEIL PHARM INC (US) | 2006-04-26 | — | — | EP | disclosed |
| US-20050234102-A1 | Substituted pyrazoles | CAI HUI | 2005-10-20 | — | — | US | disclosed |
| US-6951851-B2 | Substituted pyrazoles | CAI HUI | 2005-10-04 | — | — | US | disclosed |
| US-6949540-B2 | Substituted pyrazoles | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-09-27 | — | — | US | disclosed |
| US-6936603-B2 | Substituted pyrazoles | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-08-30 | — | — | US | disclosed |
| US-20040044027-A1 | Substituted pyrazoles | CAI HUI (US) | 2004-03-04 | — | — | US | disclosed |
| US-20030229075-A1 | Substituted pyrazoles | CAI HUI (US) | 2003-12-11 | — | — | US | disclosed |
| US-20030225063-A1 | Substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2003-12-04 | — | — | US | disclosed |
| US-20030225062-A1 | Substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2003-12-04 | — | — | US | disclosed |
| US-6635633-B2 | Substituted pyrazoles | ORTHO-PHARMACEUTICAL, INC. | 2003-10-21 | — | — | US | disclosed |
| US-6579896-B2 | Immunology response; autoimmune disease | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-06-17 | — | — | US | disclosed |
| US-20020147189-A1 | Method for treating allergies using substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2002-10-10 | — | — | US | disclosed |
| US-20020040019-A1 | Substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2002-04-04 | — | — | 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 (7 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-20030225062-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | HTR1A 4279/4885HTR6 4705/4885KCNH2 3779/4885 |
| US-20030229075-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | HTR1A 4279/4885HTR6 4705/4885KCNH2 3779/4885 |
| US-20020040019-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | HTR1A 4279/4885HTR6 4705/4885KCNH2 3779/4885 |
| US-20040044027-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | HTR1A 4279/4885HTR6 4705/4885KCNH2 3779/4885 |
| US-20030225063-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | HTR1A 4279/4885HTR6 4705/4885KCNH2 3779/4885 |
| US-20020147189-A1 | Method for treating allergies using substituted pyrazoles | TSLP, IL33, HRH2 | HTR1A 1554/4885HTR6 1434/4885KCNH2 1858/4885 |
| US-20050234102-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | HTR1A 4279/4885HTR6 4705/4885KCNH2 3779/4885 |
“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.