Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL682960 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2D6CYP2C19NPC1 | |
| SCHEMBL153999 | 0.84 | MAOA (0.57) | ALDH1A1KDM4ECARM1MAOAMAOB | |
| SCHEMBL31841937 | 0.84 | MAOA (0.57) | ALDH1A1KDM4ECARM1MAOAMAOB | |
| SCHEMBL2632719 | 0.80 | ALDH1A1 (0.68) | ALDH1A1CYP1A2CYP2D6CYP2C19NPC1 | |
| SCHEMBL8391771 | 0.80 | CYP3A4 (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL7884784 | 0.78 | CHRNA7 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19CHRNA7 | |
| SCHEMBL30072993 | 0.78 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL23848981 | 0.77 | PRMT5 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19NPC1 | |
| SCHEMBL38660913 | 0.77 | ALDH1A1 (0.81) | ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL14670200 | 0.77 | ALDH1A1 (0.81) | ALDH1A1CYP1A2CYP2D6CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20260080976-A1 | SYSTEM AND METHODS FOR GENERATION OF FRAGMENT MODULE LIBRARIES FOR LEAD OPTIMIZATION OF PHARMACEUTICALLY ACTIVE MOLECULES | PURDUE RESEARCH FOUNDATION (US) | 2026-03-19 | — | — | 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-20260080976-A1 | SYSTEM AND METHODS FOR GENERATION OF FRAGMENT MODULE LIBRARIES FOR LEAD OPTIMIZATION OF PHARMACEUTICALLY ACTIVE MOLECULES | BACE2, ADAM33, SET | ALDH1A1 3785/4885CYP1A2 482/4885CYP2D6 15/4885 |
“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.