Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 17/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 17/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6157745 | 0.79 | HCRTR1 (0.48) | HCRTR1HCRTR2CYP3A4CYP2D6HPGD | |
| SCHEMBL6157934 | 0.78 | ALDH1A1 (0.49) | NPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL6158391 | 0.78 | ALDH1A1 (0.49) | NPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL6157497 | 0.76 | SMN1; SMN2 (0.46) | NPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL6158252 | 0.76 | SMN1; SMN2 (0.48) | NPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL6158416 | 0.75 | SMN1; SMN2 (0.45) | HCRTR1HCRTR2CYP3A4NPC1ALDH1A1 | |
| SCHEMBL6160144 | 0.75 | SMN1; SMN2 (0.45) | HCRTR1HCRTR2CYP3A4NPC1ALDH1A1 | |
| SCHEMBL6157140 | 0.74 | CCR8 (0.45) | HCRTR1HCRTR2KDM4EALDH1A1 | |
| SCHEMBL6158578 | 0.74 | ALDH1A1 (0.45) | NPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL6159925 | 0.73 | GRM2 (0.49) | NPC1ALDH1A1HPGDRAB9A |
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 | HCRTR1 1949/4885HCRTR2 1842/4885CYP3A4 274/4885 |
| US-20040157894-A1 | Thiol compounds, their production and use | TST, SULT1E1, QSOX1 | HCRTR1 1930/4885HCRTR2 1754/4885CYP3A4 195/4885 |
“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.