Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22822019 | 0.93 | NOS1 (0.33) | NOS1NOS2CA1CA2CA4 | |
| SCHEMBL16233641 | 0.86 | NOS1 (0.39) | NOS1NOS2SLC1A2 | |
| SCHEMBL16233644 | 0.86 | NOS1 (0.39) | NOS1NOS2SLC1A2 | |
| SCHEMBL16233643 | 0.86 | NOS1 (0.39) | NOS1NOS2SLC1A2 | |
| SCHEMBL16233642 | 0.86 | NOS1 (0.39) | NOS1NOS2SLC1A2 | |
| SCHEMBL16233645 | 0.86 | NOS1 (0.39) | NOS1NOS2SLC1A2 | |
| SCHEMBL18307644 | 0.83 | CA1 (0.32) | CA1CA2CA4SLC1A2 | |
| SCHEMBL15591573 | 0.83 | CA1 (0.32) | CA1CA2CA4SLC1A2 | |
| SCHEMBL17319468 | 0.79 | — | — | |
| SCHEMBL22809139 | 0.79 | — | — |
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-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |