Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.37 |
| ▸ | RELA | Q04206 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3603074 | 1.00 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2NPC1RAB9ANFKB1 | |
| SCHEMBL3607854 | 0.84 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2MEN1KMT2ALMNA | |
| SCHEMBL3612139 | 0.80 | KDM4E (0.44) | ALDH1A1SMN1; SMN2KMT2AMAPK1L3MBTL1 | |
| SCHEMBL3612143 | 0.80 | KDM4E (0.44) | ALDH1A1SMN1; SMN2KMT2AMAPK1L3MBTL1 | |
| SCHEMBL3609109 | 0.79 | MAPT (0.38) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2 | |
| SCHEMBL3609108 | 0.79 | MAPT (0.38) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2 | |
| SCHEMBL3607675 | 0.79 | FDPS (0.39) | SMN1; SMN2CYP1A2CYP2C19CYP2C9GPBAR1 | |
| SCHEMBL3607678 | 0.79 | FDPS (0.39) | SMN1; SMN2CYP1A2CYP2C19CYP2C9GPBAR1 | |
| SCHEMBL3605235 | 0.77 | NMT1 (0.35) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1 | |
| SCHEMBL3605106 | 0.76 | GPBAR1 (0.36) | SMN1; SMN2NPC1RAB9AKMT2ALMNA |
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 | ALDH1A1 365/4885SMN1; SMN2 4515/4885NPC1 985/4885 |
“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.