Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CNR2 | P34972 | 6/20 | 0.53 |
| ▸ | CNR1 | P21554 | 3/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | PTGES | O14684 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3697451 | 0.86 | PKM (0.71) | ALDH1A1ESR1PKMCA12CA9 | |
| SCHEMBL6158969 | 0.85 | ALDH1A1 (0.58) | ALDH1A1ESR1PKMCA12CA9 | |
| SCHEMBL28634601 | 0.84 | ALDH1A1 (0.66) | ALDH1A1ESR1PKMCA12CA9 | |
| SCHEMBL3702995 | 0.82 | ALDH1A1 (0.63) | ALDH1A1ESR1PKMCA12CA9 | |
| SCHEMBL3701001 | 0.80 | MAPT (0.67) | ALDH1A1ESR1PKMCA12CA9 | |
| SCHEMBL3886338 | 0.80 | ALDH1A1 (0.62) | ALDH1A1ESR1PKMCA12CA9 | |
| SCHEMBL6158839 | 0.78 | ALDH1A1 (0.59) | ALDH1A1ESR1PKMCA12CA9 | |
| SCHEMBL14467764 | 0.77 | CYP2C19 (0.48) | ALDH1A1CNR2CNR1NR1I2KMT2A | |
| SCHEMBL28380035 | 0.77 | NPSR1 (0.69) | ALDH1A1ESR1PKMCA12CA9 | |
| SCHEMBL6157398 | 0.77 | ALDH1A1 (0.58) | ALDH1A1ESR1PKMCA12CA9 |
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 905/4885ESR1 2080/4885PKM 4604/4885 |
| US-20040157894-A1 | Thiol compounds, their production and use | TST, SULT1E1, QSOX1 | ALDH1A1 877/4885ESR1 1792/4885PKM 4525/4885 |
“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.