Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL3617457 | 1.00 | CYP1A2 (0.39) | CYP1A2CYP2C9CYP2C19PTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL3602764 | 0.82 | GPBAR1 (0.39) | CYP1A2CYP2C9CYP2C19GPBAR1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3602767 | 0.82 | GPBAR1 (0.39) | CYP1A2CYP2C9CYP2C19GPBAR1SMN1; SMN2 | |
| SCHEMBL3605148 | 0.80 | ALDH1A1 (0.38) | CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL3605154 | 0.80 | ALDH1A1 (0.38) | CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL3614837 | 0.80 | ALDH1A1 (0.37) | CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL3614835 | 0.80 | ALDH1A1 (0.37) | CYP1A2CYP2C9CYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL3609383 | 0.79 | SMN1; SMN2 (0.38) | CYP1A2CYP2C9CYP2C19GPBAR1SMN1; SMN2 | |
| SCHEMBL3609385 | 0.79 | SMN1; SMN2 (0.38) | CYP1A2CYP2C9CYP2C19GPBAR1SMN1; SMN2 | |
| SCHEMBL3609801 | 0.79 | SMN1; SMN2 (0.55) | CYP1A2CYP2C9CYP2C19GPBAR1SMN1; SMN2 |
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-20100016396-A1 | PYRAZOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2128138-A1 | PYRAZOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | EP | 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-20100016396-A1 | PYRAZOLE COMPOUND | SLC5A1, SLC5A2, GLP1R | CYP1A2 137/4885CYP2C9 145/4885CYP2C19 79/4885 |
“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.