Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.30 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17864869 | 0.82 | ESR1 (0.40) | SLC6A2SLC6A4SLC6A3ESR1CA1 | |
| SCHEMBL4769774 | 0.79 | GABRA1 (0.33) | SLC6A2SLC6A4SLC6A3ESR1CA1 | |
| SCHEMBL6258936 | 0.75 | MAPT (0.48) | SLC6A2SLC6A4SLC6A3ESR1CA1 | |
| SCHEMBL2354738 | 0.73 | GABRA1 (0.46) | SLC6A2ESR1CA1CA2ACHE | |
| SCHEMBL1918798 | 0.73 | CA1 (0.57) | CA1CA2ACHECA12CA4 | |
| SCHEMBL3206497 | 0.73 | ESR1 (0.56) | SLC6A2SLC6A4SLC6A3ESR1CA1 | |
| SCHEMBL451129 | 0.73 | ESR1 (0.34) | SLC6A2SLC6A4SLC6A3ESR1CA1 | |
| SCHEMBL5547691 | 0.73 | IDO1 (0.47) | CA1CA2ACHECA12CA4 | |
| SCHEMBL233609 | 0.72 | GABRA1 (0.50) | SLC6A2CA1CA2CA12CA9 | |
| SCHEMBL6926907 | 0.71 | ALDH1A1 (0.44) | ESR1CA1CA2ACHEALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110891951-A | Compound (I) | 谢菲尔德大学 | 2020-03-17 | — | — | CN | disclosed |