Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21367171 | 0.80 | SLC6A4 (0.38) | CYP3A4ALDH1A1TP53HPGDMAPK1 | |
| SCHEMBL535969 | 0.79 | PYCR1 (0.39) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL28248305 | 0.79 | CYP3A4 (0.48) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL21369159 | 0.78 | CYP3A4 (0.39) | CYP3A4SMN1; SMN2ALDH1A1ALOX15HPGD | |
| SCHEMBL21356186 | 0.76 | NOS3 (0.39) | CYP3A4SMN1; SMN2ALDH1A1ALOX15HPGD | |
| SCHEMBL358331 | 0.76 | CYP3A4 (0.54) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL29758099 | 0.76 | CYP3A4 (0.54) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL3956859 | 0.75 | MAPK1 (0.41) | SMN1; SMN2ALDH1A1HPGDMAPK1HSD17B10 | |
| Formic Acid Methyl Ester SCHEMBL28114799 | 0.75 | ABL1 (0.41) | CYP3A4SMN1; SMN2TSHRALDH1A1ALOX15 | |
| SCHEMBL588658 | 0.75 | ALDH1A1 (0.40) | CYP3A4SMN1; SMN2ALDH1A1ALOX15TDP1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1982308-B | Substituted pyrazoles | ORTHO MCNEIL PHARM INC | 2010-06-16 | — | — | CN | disclosed |
| EP-1315490-B1 | A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES | ORTHO MCNEIL PHARM INC (US) | 2008-11-12 | — | — | EP | disclosed |
| CN-1982308-A | Substituted pyrazoles | ORTHO MCNEIL PHARM INC (US) | 2007-06-20 | — | — | CN | disclosed |
| US-20070117785-A1 | Substituted pyrazoles and methods of treatment with substituted pyrazoles | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-24 | — | — | US | disclosed |
| CN-1294130-C | Substituted pyrazoles | ORTHO MCNEIL PHARM INC (US) | 2007-01-10 | — | — | CN | disclosed |
| EP-1309593-B1 | SUBSTITUTED PYRAZOLES | ORTHO MCNEIL PHARM INC (US) | 2006-03-15 | — | — | EP | disclosed |
| US-20050245576-A1 | Substituted pyrazoles | BUTLER CHRISTOPHER R | 2005-11-03 | — | — | US | disclosed |
| US-6953793-B2 | Substituted pyrazoles | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2005-10-11 | — | — | US | disclosed |
| CN-1212839-C | Use of substituted pyrazoles for the preparation of a medicament for the treatment of allergies | ORTHO MCNEIL PHARM INC (US) | 2005-08-03 | — | — | CN | disclosed |
| US-20050101587-A9 | Method for treating allergies using substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICALS, INC. | 2005-05-12 | — | — | US | disclosed |
| CN-1473043-A | A method for treating allergy by using substituted pyrazole | ����-������ҩƷ��˾ | 2004-02-04 | — | — | CN | disclosed |
| CN-1468237-A | Substituted pyrazoles | 奥索-麦克尼尔药品公司 | 2004-01-14 | — | — | CN | disclosed |
| US-6583155-B2 | Administering 2-(1-(3-(5-Acetyl-3-(4-chloro-phenyl)-4,5,6,7-tetrahydro-pyrazolo-(4,3 -c)pyridin-1-yl)-2-hydroxy-propyl)-piperidin-4-ylamino)-benzonitrile for inhibiting cathepsins; for treating atopic diseases | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-06-24 | — | — | US | disclosed |
| EP-1315490-A2 | A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-06-04 | — | — | EP | disclosed |
| EP-1309593-A2 | SUBSTITUTED PYRAZOLES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-05-14 | — | — | EP | disclosed |
| US-20030078419-A1 | Substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2003-04-24 | — | — | US | disclosed |
| US-20020115656-A1 | Method for treating allergies using substituted pyrazoles | BUTLER CHRISTOPHER R (US) | 2002-08-22 | — | — | US | disclosed |
| US-20020055497-A1 | Method for treating allergies using substituted pyrazoles | BUTLER CHRISTOPHER R (US) | 2002-05-09 | — | — | US | disclosed |
| WO-2002020011-A2 | A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2002-03-14 | — | — | WO | disclosed |
| WO-2002014315-A2 | SUBSTITUTED PYRAZOLES | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2002-02-21 | — | — | 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 (6 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-20050245576-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | CYP3A4 811/4885SMN1; SMN2 3550/4885TSHR 2617/4885 |
| US-20030078419-A1 | Substituted pyrazoles | CTSS, CTSZ, CTSV | CYP3A4 811/4885SMN1; SMN2 3550/4885TSHR 2617/4885 |
| US-20020115656-A1 | Method for treating allergies using substituted pyrazoles | TSLP, IL33, HRH2 | CYP3A4 90/4885SMN1; SMN2 4614/4885TSHR 3003/4885 |
| US-20050101587-A9 | Method for treating allergies using substituted pyrazoles | TSLP, IL33, HRH2 | CYP3A4 90/4885SMN1; SMN2 4614/4885TSHR 3003/4885 |
| US-20020055497-A1 | Method for treating allergies using substituted pyrazoles | TSLP, IL33, HRH2 | CYP3A4 90/4885SMN1; SMN2 4614/4885TSHR 3003/4885 |
| US-20070117785-A1 | Substituted pyrazoles and methods of treatment with substituted pyrazoles | CTSS, CMA1, CTSZ | CYP3A4 287/4885SMN1; SMN2 4132/4885TSHR 3002/4885 |
“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.