Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.77 |
| ▸ | CA2 | P00918 | 5/20 | 0.77 |
| ▸ | CA12 | O43570 | 2/20 | 0.77 |
| ▸ | CA7 | P43166 | 2/20 | 0.77 |
| ▸ | CA9 | Q16790 | 2/20 | 0.77 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.77 |
| ▸ | ESR1 | P03372 | 3/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | KDR | P35968 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Methylparaben SCHEMBL28210343 | 0.90 | CA1 (0.87) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL2838332 | 0.88 | CA1 (0.83) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL27716202 | 0.88 | CA1 (0.83) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL321534 | 0.88 | CA1 (1.00) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL4440 | 0.88 | CA1 (1.00) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL27361228 | 0.86 | CA1 (0.87) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL8779118 | 0.86 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL6315862 | 0.86 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL2810862 | 0.86 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Methylparaben SCHEMBL475867 | 0.86 | CA1 (0.95) | CA1CA2CA12CA7CA9 |
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-112716927-A | Alpha-amino amide compound and preparation method and application thereof | 复旦大学 | 2021-04-30 | — | — | CN | disclosed |