Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.52 |
| ▸ | NSD2 | O96028 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4279819 | 0.86 | RAB9A (0.56) | ALDH1A1ADORA2AKMT2AADORA1TSHR | |
| SCHEMBL6500669 | 0.83 | L3MBTL1 (0.57) | ALDH1A1KMT2ACYP1A2CYP2C9TSHR | |
| SCHEMBL13816854 | 0.83 | ALDH1A1 (0.50) | ALDH1A1GAAKMT2APIN1HPGD | |
| SCHEMBL4289254 | 0.79 | GAA (0.54) | ALDH1A1GAAKMT2APIN1CYP1A2 | |
| SCHEMBL5274230 | 0.78 | HPGD (0.49) | ALDH1A1GAAKMT2AHPGD | |
| SCHEMBL4284499 | 0.78 | TDP1 (0.53) | ALDH1A1ADORA2AKMT2AADORA1TSHR | |
| SCHEMBL12245094 | 0.76 | CCNE2 (0.40) | ALDH1A1PIN1TSHRHPGD | |
| SCHEMBL5274493 | 0.76 | ALDH1A1 (0.46) | ALDH1A1GAAADORA2AKMT2APIN1 | |
| SCHEMBL5268993 | 0.76 | ALDH1A1 (0.54) | ALDH1A1GAAKMT2ATSHRHPGD | |
| SCHEMBL5268485 | 0.75 | KCNA5 (0.51) | ALDH1A1GAAKMT2A |
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-20090156582-A1 | Pyrazole Compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-18 | — | — | US | disclosed |
| EP-1847531-A1 | PYRAZOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2007-10-24 | — | — | 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-20090156582-A1 | Pyrazole Compound | GSK3B, GSK3A, GSKIP | ALDH1A1 694/4885GAA 2871/4885ADORA2A 1801/4885 |
“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.