Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 14/20 | 0.47 |
| ▸ | CA1 | P00915 | 11/20 | 0.47 |
| ▸ | CA12 | O43570 | 10/20 | 0.47 |
| ▸ | CA9 | Q16790 | 10/20 | 0.47 |
| ▸ | CA7 | P43166 | 8/20 | 0.47 |
| ▸ | CA5A | P35218 | 6/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 6/20 | 0.47 |
| ▸ | CA6 | P23280 | 4/20 | 0.47 |
| ▸ | CA3 | P07451 | 3/20 | 0.47 |
| ▸ | CA4 | P22748 | 4/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | AGO2 | Q9UKV8 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29520353 | 0.80 | CA2 (0.44) | MEN1KMT2ACA2CA1CA12 | |
| SCHEMBL28268433 | 0.74 | CA2 (0.44) | CA2CA1CA12CA9CA7 | |
| SCHEMBL19405171 | 0.73 | CA2 (0.47) | CA2CA1CA12CA9CA7 | |
| SCHEMBL3294029 | 0.73 | CA2 (0.47) | CA2CA1CA12CA9CA7 | |
| SCHEMBL19378682 | 0.73 | CA2 (0.43) | KMT2ACA2CA1CA12CA9 | |
| SCHEMBL28297031 | 0.73 | CA2 (0.43) | MEN1KMT2ACA2CA1CA12 | |
| SCHEMBL28268416 | 0.73 | CA2 (0.41) | MEN1KMT2ACA2CA1CA12 | |
| SCHEMBL28268441 | 0.73 | CA12 (0.43) | CA2CA1CA12CA9CA7 | |
| SCHEMBL20707778 | 0.73 | KDM1A (0.45) | MEN1KMT2AALDH1A1 | |
| SCHEMBL20707745 | 0.73 | KDM1A (0.45) | MEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3433234-B1 | ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME (US) | 2021-10-27 | — | — | EP | disclosed |