Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 4/20 | 0.36 |
| ▸ | METAP1 | P53582 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 4/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL24153003 | 0.82 | CA2 (0.59) | CA2CA1TDP1EPHX1MAPK1 | |
| SCHEMBL16654774 | 0.80 | CA1 (0.39) | CA2CA1 | |
| SCHEMBL2723452 | 0.78 | — | — | |
| SCHEMBL8024940 | 0.77 | NOS2 (0.44) | CA2CA1TDP1EPHX1METAP2 | |
| SCHEMBL28298396 | 0.75 | CA1 (0.41) | CA2CA1 | |
| SCHEMBL13484064 | 0.75 | CA1 (0.39) | CA2CA1NOS2 | |
| SCHEMBL18737 | 0.74 | — | — | |
| SCHEMBL24153423 | 0.72 | TDP1 (0.38) | CA2CA1TDP1EPHX1METAP2 | |
| SCHEMBL24154516 | 0.72 | METAP2 (0.37) | CA2CA1TDP1EPHX1METAP2 | |
| SCHEMBL28843577 | 0.72 | CA1 (0.39) | CA2CA1 |
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-2021262731-A2 | MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2021-12-30 | — | — | WO | disclosed |