Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.40 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.40 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.40 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.40 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.40 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6158314 | 0.87 | CYP3A4 (0.41) | ALDH1A1KMT2ACYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL6160102 | 0.85 | CYP3A4 (0.48) | ALDH1A1KMT2ACYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL6162338 | 0.85 | KMT2A (0.47) | ALDH1A1KMT2ACYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL6161999 | 0.85 | SMN1; SMN2 (0.49) | ALDH1A1KMT2ACYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL6158905 | 0.85 | HPGD (0.44) | CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL6160206 | 0.85 | HPGD (0.44) | CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL6166461 | 0.84 | HTT (0.48) | ALDH1A1KMT2ACYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL6158804 | 0.83 | TDP1 (0.47) | ALDH1A1KMT2ACYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL6157877 | 0.81 | SMN1; SMN2 (0.44) | ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL6158864 | 0.80 | PARP10 (0.46) | ALDH1A1KMT2APARP10PARP15PARP14 |
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 905/4885KMT2A 1898/4885PARP10 2828/4885 |
| US-20040157894-A1 | Thiol compounds, their production and use | TST, SULT1E1, QSOX1 | ALDH1A1 877/4885KMT2A 1850/4885PARP10 2624/4885 |
“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.