Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.36 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6045135 | 0.79 | CDC25B (0.41) | ALDH1A1KDM4EHSD17B10KMT2ATSHR | |
| SCHEMBL6043398 | 0.73 | CA12 (0.41) | ALDH1A1TSHRMAPTLDHACA12 | |
| SCHEMBL23909561 | 0.72 | HSD17B10 (0.45) | ALDH1A1KDM4EHSD17B10KMT2ATSHR | |
| SCHEMBL3389763 | 0.72 | ALDH1A1 (0.69) | ALDH1A1KDM4EHSD17B10KMT2ATSHR | |
| SCHEMBL8944544 | 0.71 | KDM4E (0.53) | ALDH1A1KDM4EHSD17B10KMT2ATSHR | |
| SCHEMBL12486671 | 0.70 | HSD17B10 (0.62) | ALDH1A1KDM4EHSD17B10KMT2ATSHR | |
| SCHEMBL23909535 | 0.70 | MEN1 (0.49) | ALDH1A1KDM4EHSD17B10KMT2ATSHR | |
| SCHEMBL23909554 | 0.70 | PARP1 (0.49) | ALDH1A1KDM4EHSD17B10KMT2ATSHR | |
| Propylamine SCHEMBL28201098 | 0.70 | TSHR (0.43) | ALDH1A1KDM4EHSD17B10KMT2ATSHR | |
| SCHEMBL689259 | 0.69 | HSD17B10 (0.67) | ALDH1A1KDM4EHSD17B10KMT2ATSHR |
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-20060079533-A1 | Methods of treating alzheimer's disease | NIEMAN JAMES A | 2006-04-13 | — | — | US | disclosed |
| US-6150526-A | Piperidine derivative having renin inhibiting activity | HOFFMANN-LA ROCHE INC. (US) | 2000-11-21 | — | — | US | disclosed |
| US-6051712-A | PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS | HOFFMANN-LA ROCHE INC. (US) | 2000-04-18 | — | — | 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-20060079533-A1 | Methods of treating alzheimer's disease | BACE1, PSEN1, PSEN2 | ALDH1A1 2504/4885KDM4E 2501/4885HSD17B10 2785/4885 |
“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.