Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | BHMT | Q93088 | 11/20 | 0.47 |
| ▸ | BHMT2 | Q9H2M3 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL474911 | 0.83 | BHMT (0.67) | NOS2NOS3NOS1BHMTBHMT2 | |
| SCHEMBL2119412 | 0.83 | BHMT (0.67) | NOS2NOS3NOS1BHMTBHMT2 | |
| SCHEMBL474910 | 0.83 | BHMT (0.67) | NOS2NOS3NOS1BHMTBHMT2 | |
| Hydrochloric Acid SCHEMBL28941785 | 0.82 | BHMT (0.65) | NOS2NOS3NOS1BHMTBHMT2 | |
| SCHEMBL8021737 | 0.82 | BHMT (0.46) | NOS2NOS3NOS1BHMTBHMT2 | |
| SCHEMBL19538739 | 0.82 | BHMT (0.46) | NOS2NOS3NOS1BHMTBHMT2 | |
| SCHEMBL8024940 | 0.81 | NOS2 (0.44) | NOS2NOS3NOS1TDP1CA1 | |
| SCHEMBL24153003 | 0.78 | CA2 (0.59) | NOS2NOS3NOS1BHMTBHMT2 | |
| SCHEMBL2266247 | 0.77 | — | — | |
| SCHEMBL1262432 | 0.77 | — | — |
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 |