Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 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 | |
|---|---|---|---|---|
| SCHEMBL6161259 | 0.91 | SMN1; SMN2 (0.54) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A | |
| SCHEMBL6159695 | 0.91 | SMN1; SMN2 (0.54) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A | |
| SCHEMBL6158676 | 0.91 | KMT2A (0.49) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A | |
| SCHEMBL6159136 | 0.91 | SMN1; SMN2 (0.43) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A | |
| SCHEMBL6158416 | 0.91 | SMN1; SMN2 (0.45) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2MAPK1 | |
| SCHEMBL6158423 | 0.91 | SMN1; SMN2 (0.45) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2MAPK1 | |
| SCHEMBL6158718 | 0.91 | KMT2A (0.49) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A | |
| SCHEMBL6160144 | 0.91 | SMN1; SMN2 (0.45) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2MAPK1 | |
| SCHEMBL6162824 | 0.91 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A | |
| SCHEMBL6165592 | 0.90 | HTT (0.53) | ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6953789-B2 | Thiol compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-10-11 | — | — | US | disclosed |
| US-20040157894-A1 | Thiol compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-08-12 | — | — | US | disclosed |
| US-6699881-B2 | MATRIX METALLOPROTEASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-03-02 | — | — | US | disclosed |
| US-20030078253-A1 | Thiol compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) | 2003-04-24 | — | — | US | disclosed |
| US-6420415-B1 | Thiol compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-1132379-A1 | NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2001-09-12 | — | — | EP | 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-20030078253-A1 | Thiol compounds, their production and use | TST, QSOX1, SULT1E1 | ALDH1A1 905/4885CYP3A4 274/4885CYP2C19 951/4885 |
| US-20040157894-A1 | Thiol compounds, their production and use | TST, SULT1E1, QSOX1 | ALDH1A1 877/4885CYP3A4 195/4885CYP2C19 822/4885 |
“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.