Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 14/20 | 0.43 |
| ▸ | CA1 | P00915 | 12/20 | 0.43 |
| ▸ | CA9 | Q16790 | 11/20 | 0.43 |
| ▸ | CA12 | O43570 | 10/20 | 0.43 |
| ▸ | CA7 | P43166 | 9/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28268420 | 0.85 | CA2 (0.43) | CA2CA1CA9CA12CA7 | |
| SCHEMBL3739337 | 0.82 | KDM1A (0.40) | SMN1; SMN2CYP1A2 | |
| SCHEMBL1943935 | 0.80 | KDM1A (0.51) | SMN1; SMN2CYP2C19 | |
| SCHEMBL15767640 | 0.80 | KDM1A (0.51) | SMN1; SMN2CYP2C19 | |
| SCHEMBL11700667 | 0.80 | KDM1A (0.51) | SMN1; SMN2CYP2C19 | |
| SCHEMBL15766918 | 0.79 | KDM1A (0.51) | SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL15766917 | 0.79 | KDM1A (0.51) | SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL7077980 | 0.79 | KDM1A (0.51) | — | |
| SCHEMBL1000359 | 0.79 | KDM1A (0.51) | SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL29520353 | 0.78 | CA2 (0.44) | CA2CA1CA9CA12CA7 |
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-20170275260-A1 | ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2017-09-28 | — | — | 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-20170275260-A1 | ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | CHRNA7, CHRNA5, CHRNA6 | CA2 4353/4885CA1 3053/4885CA9 4771/4885 |
“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.