Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | JMJD6 | Q6NYC1 | 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 | |
|---|---|---|---|---|
| SCHEMBL15729625 | 0.89 | CDC7 (0.35) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL19443455 | 0.85 | HCRTR2 (0.41) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL15729279 | 0.83 | CA12 (0.37) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL15729570 | 0.80 | ALDH1A1 (0.40) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL15729620 | 0.78 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL18628892 | 0.78 | HCRTR1 (0.37) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL18628941 | 0.77 | MAPT (0.37) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL15729573 | 0.77 | HCRTR2 (0.43) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL19443604 | 0.76 | SMN1; SMN2 (0.47) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL18628977 | 0.76 | MAPT (0.37) | ALDH1A1CA12CA1CA2CA7 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2921480-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2017-10-11 | — | — | EP | disclosed |
| EP-2921480-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2017-10-11 | — | — | EP | disclosed |
| US-9777005-B2 | Bicyclic heterocyclic compound containing a substituted pyrrole ring | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-10-03 | — | — | US | disclosed |
| US-9777005-B2 | Bicyclic heterocyclic compound containing a substituted pyrrole ring | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-10-03 | — | — | US | disclosed |
| US-9777005-B2 | Bicyclic heterocyclic compound containing a substituted pyrrole ring | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-10-03 | — | — | US | disclosed |
| US-9732086-B2 | — | — | 2017-08-15 | — | — | US | disclosed |
| US-9732086-B2 | — | — | 2017-08-15 | — | — | US | disclosed |
| US-9732086-B2 | — | — | 2017-08-15 | — | — | US | disclosed |
| US-20150307497-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-29 | — | — | US | disclosed |
| US-20150307497-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-29 | — | — | US | disclosed |
| US-20150307497-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-29 | — | — | US | disclosed |
| EP-2921480-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-09-23 | — | — | EP | disclosed |
| EP-2921480-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-09-23 | — | — | EP | disclosed |
| WO-2014077401-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2014-05-22 | — | — | WO | 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-20150307497-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | CHRM1, CHRM2, CHRM4 | ALDH1A1 2232/4885CA12 1767/4885CA1 524/4885 |
“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.