Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | ACLY | P53396 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL927338 | 1.00 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| Hydrochloric Acid SCHEMBL10990786 | 0.98 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL21327584 | 0.87 | HTT (0.71) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL27709578 | 0.86 | NPC1 (0.51) | ALDH1A1HTTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL3133634 | 0.86 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL9461812 | 0.85 | CDC25B (0.60) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL22117367 | 0.85 | RAB9A (0.47) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL113562 | 0.85 | KEAP1 (0.53) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL29622845 | 0.85 | KEAP1 (0.53) | ALDH1A1KDM4EHPGDHTTHSD17B10 | |
| SCHEMBL1020142 | 0.85 | SMN1; SMN2 (0.49) | ALDH1A1KDM4EHPGDHTTHSD17B10 |
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-12630549-B2 | Pyrazoleamide derivatives | HOFFMANN-LA ROCHE INC. (US) | 2026-05-19 | — | — | US | disclosed |
| US-20230382911-A1 | PYRAZOLEAMIDE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2023-11-30 | — | — | 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 (2 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-20230382911-A1 | PYRAZOLEAMIDE DERIVATIVES | P2RY1, P2RX1, P2RX5 | ALDH1A1 203/4885KDM4E 2850/4885HPGD 611/4885 |
| US-12630549-B2 | Pyrazoleamide derivatives | CYP11B2, CYP11B1, ADRA1B | ALDH1A1 439/4885KDM4E 3127/4885HPGD 1203/4885 |
“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.