Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | PPM1B | O75688 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TLR4 | O00206 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL594646 | 1.00 | TP53 (0.48) | TP53CYP3A4ALDH1A1PPM1BPTPN1 | |
| SCHEMBL594645 | 1.00 | TP53 (0.48) | TP53CYP3A4ALDH1A1PPM1BPTPN1 | |
| SCHEMBL594647 | 1.00 | TP53 (0.48) | TP53CYP3A4ALDH1A1PPM1BPTPN1 | |
| SCHEMBL28405577 | 0.95 | TP53 (0.53) | TP53CYP3A4ALDH1A1PPM1BPTPN1 | |
| SCHEMBL6900183 | 0.95 | TP53 (0.53) | TP53CYP3A4ALDH1A1PPM1BPTPN1 | |
| SCHEMBL234644 | 0.95 | TP53 (0.53) | TP53CYP3A4ALDH1A1PPM1BPTPN1 | |
| SCHEMBL13011542 | 0.95 | TP53 (0.53) | TP53CYP3A4ALDH1A1PPM1BPTPN1 | |
| SCHEMBL1169984 | 0.93 | TP53 (0.52) | TP53CYP3A4ALDH1A1PPM1BPTPN1 | |
| SCHEMBL1170182 | 0.93 | TP53 (0.52) | TP53CYP3A4ALDH1A1PPM1BPTPN1 | |
| SCHEMBL1169988 | 0.93 | TP53 (0.52) | TP53CYP3A4ALDH1A1PPM1BPTPN1 |
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-20110212960-A1 | NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-01 | — | — | US | disclosed |
| US-20110212960-A1 | NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-01 | — | — | US | disclosed |
| WO-2011018495-A1 | NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-17 | — | — | 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-20110212960-A1 | NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER | BDNF, PSEN1, CHRNA5 | TP53 4739/4885CYP3A4 738/4885ALDH1A1 754/4885 |
“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.