Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2032597 | 0.87 | ALDH1A1 (0.43) | ALDH1A1TSHRNOS1NOS2 | |
| SCHEMBL19977438 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TSHRNOS1NOS2 | |
| SCHEMBL18232027 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TSHR | |
| SCHEMBL3124100 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TSHR | |
| SCHEMBL2030122 | 0.76 | — | — | |
| SCHEMBL7203718 | 0.72 | ALDH1A1 (0.38) | ALDH1A1TSHRNOS1NOS2 | |
| SCHEMBL6630544 | 0.72 | — | — | |
| SCHEMBL7203715 | 0.72 | ALDH1A1 (0.38) | ALDH1A1TSHRNOS1NOS2 | |
| SCHEMBL7201967 | 0.72 | ALDH1A1 (0.38) | ALDH1A1TSHRNOS1NOS2 | |
| SCHEMBL10537224 | 0.72 | — | — |
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-7968572-B2 | Nitrogen-containing heterocyclic compound and pharmaceutical application thereof | ONO PHARMACEUTICALS CO., LTD. (JP) | 2011-06-28 | — | — | US | disclosed |
| US-20100063104-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | ONO PHARMACEUTICAL CO., LTD., (JP) | 2010-03-11 | — | — | US | disclosed |
| CN-101321745-A | Nitrogen-containing heterocyclic compound and pharmaceutical application thereof | ONO PHARMACEUTICAL CO (JP) | 2008-12-10 | — | — | CN | disclosed |
| EP-1932840-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-06-18 | — | — | EP | 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-20100063104-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | NOS2, NOS1, MAPK1 | ALDH1A1 1368/4885TSHR 4452/4885NOS1 2/4885 |
“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.