Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | TDP2 | O95551 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8185305 | 0.75 | CYP3A4 (0.51) | CYP3A4TDP1MEN1KMT2ACAPN9 | |
| SCHEMBL14017942 | 0.73 | PTPRC (0.53) | CYP3A4TDP1MEN1KMT2ACAPN9 | |
| SCHEMBL17434393 | 0.72 | GSK3B (0.43) | CASP3ALDH1A1PGRKDM4E | |
| SCHEMBL151957 | 0.70 | CYP3A4 (1.00) | CYP3A4TDP1MEN1KMT2ACAPN9 | |
| Methane SCHEMBL28326322 | 0.69 | CYP3A4 (0.96) | CYP3A4TDP1MEN1KMT2ACAPN9 | |
| SCHEMBL27798142 | 0.69 | CYP3A4 (0.96) | CYP3A4TDP1MEN1KMT2ACAPN9 | |
| SCHEMBL17433959 | 0.69 | ACHE (0.48) | MEN1KMT2ACASP3CA1CA2 | |
| SCHEMBL12220004 | 0.69 | CYP3A4 (0.47) | CYP3A4TDP1MEN1KMT2ACAPN9 | |
| SCHEMBL6634960 | 0.69 | CYP3A4 (0.47) | CYP3A4TDP1MEN1KMT2ACAPN9 | |
| SCHEMBL28533975 | 0.69 | KDM4E (0.46) | CYP3A4TDP1MEN1KMT2ACAPN9 |
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-9834520-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-12-05 | — | — | US | disclosed |
| US-20160229814-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-08-11 | — | — | US | disclosed |
| EP-2975031-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2016-01-20 | — | — | 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-20160229814-A1 | HETEROCYCLIC COMPOUND | RORB, RORC, RORA | CYP3A4 326/4885TDP1 4876/4885MEN1 2706/4885 |
“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.