Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL1006668 | 0.89 | TDP1 (0.47) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL1007587 | 0.88 | ADORA3 (0.47) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL1008127 | 0.87 | ALDH1A1 (0.46) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL1007312 | 0.86 | ALDH1A1 (0.44) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL1008032 | 0.86 | ALDH1A1 (0.44) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL1007484 | 0.78 | ALDH1A1 (0.65) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL12666937 | 0.78 | TDP1 (0.45) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL12666935 | 0.78 | TDP1 (0.45) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL12674203 | 0.76 | TDP1 (0.43) | ALDH1A1HTTTDP1LMNATSHR | |
| SCHEMBL12674154 | 0.76 | TDP1 (0.43) | ALDH1A1HTTTDP1LMNATSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110118236-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-19 | — | — | US | disclosed |
| US-20110118236-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-19 | — | — | US | disclosed |
| EP-2269990-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-01-05 | — | — | EP | disclosed |
| EP-2269990-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009119088-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-10-01 | — | — | 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-20110118236-A1 | HETEROCYCLIC COMPOUND | GRIN1, GRM1, GRIK1 | ALDH1A1 614/4885HTT 3487/4885TDP1 3371/4885 |
“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.