Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.49 |
| ▸ | TACR1 | P25103 | 4/20 | 0.47 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6160524 | 1.00 | S1PR1 (0.49) | S1PR1TACR1KCNT1TRPM8ATM | |
| SCHEMBL207075 | 0.91 | TACR1 (0.54) | TACR1TRPM8ATMALDH1A1HTT | |
| SCHEMBL207074 | 0.91 | TACR1 (0.54) | TACR1TRPM8ATMALDH1A1HTT | |
| SCHEMBL5055739 | 0.86 | CA12 (0.55) | TACR1TRPM8ATMPPARAL3MBTL1 | |
| SCHEMBL6160452 | 0.85 | ATM (0.58) | KCNT1TRPM8ATMPPARAL3MBTL1 | |
| SCHEMBL6160451 | 0.85 | ATM (0.58) | KCNT1TRPM8ATMPPARAL3MBTL1 | |
| SCHEMBL2717201 | 0.82 | TACR1 (0.53) | TACR1ATMPPARAALDH1A1HTT | |
| SCHEMBL6158794 | 0.81 | CTSK (0.47) | KCNT1ATMMAPK14 | |
| SCHEMBL6158798 | 0.81 | CTSK (0.47) | KCNT1ATMMAPK14 | |
| SCHEMBL207546 | 0.80 | TACR1 (0.47) | TACR1ATMALDH1A1HTT |
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 | S1PR1 2007/4885TACR1 782/4885KCNT1 535/4885 |
| US-20040157894-A1 | Thiol compounds, their production and use | TST, SULT1E1, QSOX1 | S1PR1 2052/4885TACR1 889/4885KCNT1 609/4885 |
“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.