Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.38 |
| ▸ | CES1 | P23141 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18097685 | 0.85 | MAOB (0.42) | CES2CES1TRPA1ALDH1A1TDP1 | |
| SCHEMBL28019094 | 0.83 | MCL1 (0.44) | CES2CES1ALDH1A1MCL1PTGS2 | |
| SCHEMBL6928478 | 0.83 | KDM4E (0.41) | CES2CES1ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL29956673 | 0.83 | KDM4E (0.41) | CES2CES1ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL11922585 | 0.81 | PTGS2 (0.45) | TRPA1ALDH1A1MCL1PTGS2TSHR | |
| SCHEMBL685913 | 0.79 | TRPA1 (0.50) | TRPA1ALDH1A1MAOBMAOASMN1; SMN2 | |
| SCHEMBL12339911 | 0.78 | MCL1 (0.47) | TRPA1ALDH1A1MCL1PTGS2 | |
| SCHEMBL31442933 | 0.76 | CYP3A4 (0.50) | TRPA1ALDH1A1TDP1TP53MAOB | |
| SCHEMBL12653960 | 0.76 | TDP1 (0.39) | TRPA1ALDH1A1TDP1TP53MCL1 | |
| SCHEMBL31401967 | 0.75 | HDAC1 (0.33) | TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7429609-B2 | Pyrazole compound and medicinal composition containing the same | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2008-09-30 | — | — | US | disclosed |
| US-20050261339-A1 | Pyrazole compound and medicinal composition containing the same | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2005-11-24 | — | — | 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 (1 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-20050261339-A1 | Pyrazole compound and medicinal composition containing the same | CNKSR1, NR3C2, CSNK2B | CES2 3958/4885CES1 3956/4885TRPA1 1859/4885 |
“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.