Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CKS1B | P61024 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18212333 | 1.00 | ALDH1A1 (0.50) | ALDH1A1EPHX2PKMPDK1PDK2 | |
| SCHEMBL22722014 | 1.00 | ALDH1A1 (0.50) | ALDH1A1EPHX2PKMPDK1PDK2 | |
| SCHEMBL4087474 | 0.87 | ALDH1A1 (0.60) | ALDH1A1EPHX2PKMPDK1PDK2 | |
| SCHEMBL21100016 | 0.87 | ALDH1A1 (0.60) | ALDH1A1EPHX2PKMPDK1PDK2 | |
| SCHEMBL13446730 | 0.86 | PDK1 (0.43) | ALDH1A1EPHX2PKMPDK1PDK2 | |
| SCHEMBL12436660 | 0.86 | PDK1 (0.43) | ALDH1A1EPHX2PKMPDK1PDK2 | |
| SCHEMBL23759977 | 0.84 | ALDH1A1 (0.50) | ALDH1A1EPHX2PKMPDK1PDK2 | |
| SCHEMBL16886273 | 0.84 | ALDH1A1 (0.50) | ALDH1A1PKMPDK1PDK2PDK3 | |
| SCHEMBL16886275 | 0.84 | ALDH1A1 (0.50) | ALDH1A1PKMPDK1PDK2PDK3 | |
| SCHEMBL23760059 | 0.84 | ALDH1A1 (0.50) | ALDH1A1EPHX2PKMPDK1PDK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| US-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-07-21 | — | — | US | disclosed |
| US-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-07-21 | — | — | 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-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | NTSR2, BDKRB1, AVPR1B | ALDH1A1 3648/4885EPHX2 1713/4885PKM 1856/4885 |
“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.