Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CA9 | Q16790 | 4/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15927893 | 1.00 | CA1 (0.49) | CA1CA2CA9CA12FFAR4 | |
| SCHEMBL15927903 | 1.00 | CA1 (0.49) | CA1CA2CA9CA12FFAR4 | |
| SCHEMBL18630954 | 1.00 | CA1 (0.49) | CA1CA2CA9CA12FFAR4 | |
| SCHEMBL5925105 | 1.00 | CA1 (0.49) | CA1CA2CA9CA12FFAR4 | |
| SCHEMBL5453543 | 1.00 | CA1 (0.49) | CA1CA2CA9CA12FFAR4 | |
| SCHEMBL23970385 | 1.00 | CA1 (0.49) | CA1CA2CA9CA12FFAR4 | |
| SCHEMBL6412514 | 0.92 | CA12 (0.48) | CA1CA2CA9CA12FFAR4 | |
| SCHEMBL24408771 | 0.88 | CA1 (0.46) | CA1CA2CA9CA12PKM | |
| SCHEMBL22404571 | 0.88 | CA1 (0.46) | CA1CA2CA9CA12PKM | |
| SCHEMBL17592796 | 0.88 | CA1 (0.49) | CA1CA2CA9CA12FFAR4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |