Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3796213 | 0.86 | CA12 (0.48) | PTGS2MEN1KMT2ACA12CA1 | |
| SCHEMBL13228066 | 0.86 | SLC6A3 (0.47) | SLC6A2SLC6A4SLC6A3ALDH1A1LMNA | |
| SCHEMBL6511100 | 0.84 | PTGS2 (0.50) | PTGS2SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL3809038 | 0.84 | GAA (0.47) | PTGS2ALDH1A1LMNAKMT2ACA12 | |
| SCHEMBL3797363 | 0.83 | PTGS2 (0.45) | PTGS2ALDH1A1CCR5PTGS1 | |
| SCHEMBL3796823 | 0.83 | GAA (0.40) | ALDH1A1KMT2ACA12CA1CA2 | |
| SCHEMBL3803003 | 0.82 | CA12 (0.52) | PTGS2ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL3795486 | 0.82 | GAA (0.48) | PTGS2SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL3795965 | 0.81 | NHERF1 (0.46) | ALDH1A1KMT2ACA12CA1CA2 | |
| SCHEMBL3798133 | 0.81 | EPHX2 (0.50) | PTGS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7781592-B2 | Thione derivative, method for the preparation thereof, and pharmaceutical composition containing the same | CJ CHEILJEDANG CORPORATION (KR) | 2010-08-24 | — | — | US | disclosed |
| US-20080090875-A1 | Thione Derivative, Method For The Preparation Thereof, And Pharmaceutical Composition Containing The Same | CJC CORPORATION (KR) | 2008-04-17 | — | — | US | 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 (1 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-20080090875-A1 | Thione Derivative, Method For The Preparation Thereof, And Pharmaceutical Composition Containing The Same | TPMT, TST, CYP3A5 | PTGS2 922/4885SLC6A2 1291/4885SLC6A4 640/4885 |
“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.