Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.38 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL12513640 | 1.00 | DRD2 (0.45) | DRD2HSD11B1ALDH1A1GAAEPHX1 | |
| SCHEMBL14919674 | 0.90 | DRD2 (0.50) | DRD2HSD11B1ALDH1A1GAAEPHX1 | |
| SCHEMBL2226733 | 0.87 | GAA (0.55) | DRD2HSD11B1ALDH1A1GAAEPHX1 | |
| SCHEMBL1693612 | 0.82 | SMYD3 (0.49) | DRD2HSD11B1ALDH1A1GAAEPHX1 | |
| SCHEMBL12436759 | 0.81 | ALDH1A1 (0.44) | DRD2HSD11B1ALDH1A1GAAEPHX1 | |
| SCHEMBL22722028 | 0.81 | ALDH1A1 (0.44) | DRD2HSD11B1ALDH1A1GAAEPHX1 | |
| SCHEMBL15226075 | 0.81 | EPHX1 (0.55) | HSD11B1ALDH1A1GAAEPHX1RAB9A | |
| SCHEMBL1693037 | 0.81 | DRD2 (0.50) | DRD2HSD11B1ALDH1A1GAAEPHX1 | |
| SCHEMBL643094 | 0.79 | EPHX1 (0.48) | DRD2HSD11B1EPHX1HTR1AHTR2A | |
| Bicarbonate SCHEMBL15225614 | 0.79 | EPHX1 (0.53) | DRD2HSD11B1ALDH1A1GAAEPHX1 |
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-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 |
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 | DRD2 135/4885HSD11B1 1352/4885ALDH1A1 3648/4885 |
“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.