Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MDM2 | Q00987 | 7/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2027394 | 0.79 | ALDH1A1 (0.72) | ALDH1A1MDM2TP53 | |
| SCHEMBL22939236 | 0.77 | CASP3 (0.42) | ALDH1A1MDM2CASP3PGRBACE1 | |
| SCHEMBL14991909 | 0.76 | MDM2 (0.43) | ALDH1A1MDM2 | |
| SCHEMBL22939076 | 0.75 | CASP3 (0.50) | CASP3ABCB1PGRGABRA1GABRG2 | |
| SCHEMBL20184098 | 0.71 | HDAC1 (0.52) | CA12CA2CA9 | |
| SCHEMBL20100137 | 0.68 | MDM2 (0.72) | ALDH1A1MDM2PGRTP53 | |
| SCHEMBL7281529 | 0.68 | CA12 (0.72) | CA12CA2CA9TDP1 | |
| SCHEMBL31411889 | 0.68 | PGR (0.50) | ALDH1A1TDP1PGRBACE1TP53 | |
| SCHEMBL20184067 | 0.67 | HDAC6 (0.48) | — | |
| SCHEMBL7364966 | 0.67 | L3MBTL1 (0.47) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10357484-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-07-23 | — | — | US | disclosed |
| US-20190008836-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-01-10 | — | — | US | disclosed |
| EP-3327019-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-05-30 | — | — | 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 (2 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-10357484-B2 | Heterocyclic compound | HDAC1, HDAC11, HDAC5 | ALDH1A1 696/4885MDM2 4012/4885CASP3 344/4885 |
| US-20190008836-A1 | HETEROCYCLIC COMPOUND | HDAC1, HDAC11, HDAC5 | ALDH1A1 696/4885MDM2 4012/4885CASP3 344/4885 |
“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.