Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23168934 | 0.89 | NPC1 (0.49) | ALDH1A1NPC1RAB9ATSHRKMT2A | |
| SCHEMBL3861156 | 0.85 | GAA (0.54) | ALDH1A1RAB9APOLBTSHRKMT2A | |
| SCHEMBL25030393 | 0.83 | CHRM1 (0.41) | ALDH1A1NPC1RAB9ADRD2DRD3 | |
| SCHEMBL12436958 | 0.82 | POLB (0.44) | ALDH1A1POLBKMT2A | |
| SCHEMBL12385904 | 0.82 | NPC1 (0.67) | ALDH1A1NPC1RAB9ADRD2DRD3 | |
| SCHEMBL585029 | 0.81 | GNAI3 (0.57) | ALDH1A1NPC1RAB9ADRD2DRD3 | |
| SCHEMBL27429183 | 0.80 | NPC1 (0.48) | ALDH1A1NPC1POLBKMT2AMEN1 | |
| SCHEMBL25030886 | 0.80 | NPC1 (0.39) | ALDH1A1NPC1RAB9APOLBTSHR | |
| SCHEMBL25134625 | 0.79 | TP53 (0.57) | ALDH1A1NPC1DRD2DRD3TSHR | |
| SCHEMBL15431605 | 0.79 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9ADRD2DRD3 |
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 7 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-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | 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 |
| EP-2336105-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | Takeda Pharmaceutical Company Limited (JP) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010032856-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | 武田薬品工業株式会社 (JP) | 2010-03-25 | — | — | 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-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | NTSR2, BDKRB1, AVPR1B | ALDH1A1 3648/4885NPC1 1587/4885RAB9A 2851/4885 |
“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.