Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | TSHR | P16473 | 5/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | CETP | P11597 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20360097 | 0.94 | TSHR (0.62) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL9790736 | 0.87 | ALDH1A1 (0.69) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL28801572 | 0.84 | ALDH1A1 (0.51) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL6660310 | 0.84 | ALDH1A1 (0.55) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL9562211 | 0.83 | ALDH1A1 (0.63) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL10599434 | 0.82 | TSHR (0.56) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL1920842 | 0.82 | L3MBTL1 (0.56) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| Propene SCHEMBL28153646 | 0.82 | TSHR (0.56) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL20023007 | 0.81 | TSHR (0.61) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 | |
| SCHEMBL20023005 | 0.81 | TSHR (0.61) | ALDH1A1TSHRL3MBTL1MAPK1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180009807-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME LLC | 2018-01-11 | — | — | 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-20180009807-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | KCNJ11, KCNJ1, KCNJ2 | ALDH1A1 1267/4885TSHR 1619/4885L3MBTL1 3484/4885 |
“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.