Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | CRHBP | P24387 | 1/20 | 0.54 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1237491 | 0.81 | CYP2A6 (0.96) | CYP2A6SMN1; SMN2CRHBPCRHR2CHRNA7 | |
| SCHEMBL2248829 | 0.80 | CYP2A6 (1.00) | CYP2A6SMN1; SMN2CRHBPCRHR2CHRNA7 | |
| SCHEMBL1567143 | 0.78 | CYP2A6 (0.67) | CYP2A6SMN1; SMN2CRHBPCRHR2CHRNA7 | |
| SCHEMBL2537423 | 0.78 | CYP2A6 (0.67) | CYP2A6SMN1; SMN2CRHBPCRHR2CHRNA7 | |
| SCHEMBL16398945 | 0.78 | CYP2A6 (0.67) | CYP2A6SMN1; SMN2CRHBPCRHR2CHRNA7 | |
| SCHEMBL18666075 | 0.78 | CYP2A6 (0.67) | CYP2A6SMN1; SMN2CRHBPCRHR2CHRNA7 | |
| SCHEMBL3106949 | 0.78 | CYP2A6 (0.70) | CYP2A6SMN1; SMN2CRHBPCRHR2CHRNA7 | |
| SCHEMBL2792315 | 0.78 | CYP2A6 (0.67) | CYP2A6SMN1; SMN2CRHBPCRHR2CHRNA7 | |
| SCHEMBL7987474 | 0.78 | CYP2A6 (0.67) | CYP2A6SMN1; SMN2CRHBPCRHR2CHRNA7 | |
| SCHEMBL655428 | 0.78 | CYP2A6 (1.00) | CYP2A6SMN1; SMN2CRHBPCRHR2CHRNA7 |
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-7803822-B2 | Triazole derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-28 | — | — | US | disclosed |
| US-20090105253-A1 | Triazole Derivative and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-23 | — | — | US | disclosed |
| EP-1633348-B1 | 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES | ELAN PHARM INC (US) | 2008-10-08 | — | — | EP | disclosed |
| US-7432379-B2 | Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists | ELAN PHARMACEUTICALS, INC. (US) | 2008-10-07 | — | — | US | disclosed |
| US-7417152-B2 | 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases | ELAN PHARMACEUTICALS, INC. (US) | 2008-08-26 | — | — | US | disclosed |
| EP-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |
| US-20060281733-A1 | 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases | ELAN PHARMACEUTICALS, INC. | 2006-12-14 | — | — | US | disclosed |
| US-20050020659-A1 | Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists | ELAN PHARMACEUTICALS, INC. | 2005-01-27 | — | — | 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 (3 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-20050020659-A1 | Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists | BDKRB1, BDKRB2, BRS3 | CYP2A6 1662/4885SMN1; SMN2 3553/4885CRHBP 605/4885 |
| US-20090105253-A1 | Triazole Derivative and Use Thereof | F2R, HRH4, F2RL3 | CYP2A6 1122/4885SMN1; SMN2 4399/4885CRHBP 1057/4885 |
| US-20060281733-A1 | 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases | BDKRB1, BDKRB2, CNR1 | CYP2A6 685/4885SMN1; SMN2 3662/4885CRHBP 655/4885 |
“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.