Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7232912 | 0.88 | ALDH1A1 (0.64) | ALDH1A1HPGDGLAHSD17B10SMN1; SMN2 | |
| SCHEMBL16442058 | 0.88 | ALDH1A1 (0.64) | ALDH1A1HPGDGLAHSD17B10SMN1; SMN2 | |
| SCHEMBL1520334 | 0.88 | ALDH1A1 (0.64) | ALDH1A1HPGDGLAHSD17B10SMN1; SMN2 | |
| SCHEMBL5479680 | 0.86 | ALDH1A1 (0.62) | ALDH1A1HPGDGLAHSD17B10RAB9A | |
| SCHEMBL7232221 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HPGDGLAHSD17B10SMN1; SMN2 | |
| SCHEMBL3319143 | 0.85 | HSD17B10 (0.74) | ALDH1A1HPGDGLAHSD17B10RAB9A | |
| SCHEMBL3319140 | 0.85 | HSD17B10 (0.74) | ALDH1A1HPGDGLAHSD17B10RAB9A | |
| SCHEMBL7232214 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HPGDGLAHSD17B10SMN1; SMN2 | |
| SCHEMBL12060563 | 0.84 | ALDH1A1 (0.60) | ALDH1A1HPGDGLAHSD17B10RAB9A | |
| SCHEMBL7235193 | 0.84 | ALDH1A1 (0.61) | ALDH1A1HPGDSMN1; SMN2L3MBTL1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090156572-A1 | Nitrogen-containing heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-06-18 | — | — | US | disclosed |
| US-20090156572-A1 | Nitrogen-containing heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-06-18 | — | — | US | disclosed |
| WO-2009072643-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-11 | — | — | 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-20090156572-A1 | Nitrogen-containing heterocyclic compound and use thereof | NTSR2, NTSR1, HNMT | ALDH1A1 2667/4885HPGD 410/4885GLA 4425/4885 |
“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.