Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 5/20 | 0.35 |
| ▸ | CTSS | P25774 | 4/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 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 | |
|---|---|---|---|---|
| SCHEMBL14779061 | 0.88 | CA1 (0.41) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL14778520 | 0.88 | CA1 (0.41) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL14780357 | 0.83 | CA12 (0.36) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL14779117 | 0.82 | CTSK (0.45) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL14778691 | 0.80 | CA1 (0.40) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL15254162 | 0.77 | CA1 (0.38) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL9410028 | 0.77 | CA1 (0.38) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL14780126 | 0.74 | CA1 (0.34) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL6387799 | 0.74 | CA1 (0.39) | CA1CA7CA2CYP2D6CTSK | |
| SCHEMBL14779394 | 0.73 | CTSS (0.43) | CA1CA7CA2CYP2D6CTSK |
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-8772277-B2 | Nitrogen-containing heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-07-08 | — | — | US | disclosed |
| US-20130072467-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2013-03-21 | — | — | US | 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-20130072467-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | ESRRA, ESRRB, ESR2 | CA1 4250/4885CA7 4614/4885CA2 3710/4885 |
“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.