Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.37 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7986250 | 1.00 | NOS3 (0.39) | NOS3NOS1NOS2TSHRALDH1A1 | |
| SCHEMBL7975699 | 0.80 | SLC7A5 (0.39) | NOS3NOS1NOS2ALDH1A1SLC1A3 | |
| SCHEMBL7975696 | 0.80 | SLC7A5 (0.39) | NOS3NOS1NOS2ALDH1A1SLC1A3 | |
| SCHEMBL7990370 | 0.79 | ALDH1A1 (0.33) | NOS3NOS1NOS2TSHRALDH1A1 | |
| SCHEMBL7990372 | 0.79 | ALDH1A1 (0.33) | NOS3NOS1NOS2TSHRALDH1A1 | |
| SCHEMBL7987070 | 0.77 | PLA2G2C (0.34) | TSHRALDH1A1EPHX2 | |
| SCHEMBL7989630 | 0.77 | DDAH1 (0.41) | NOS3NOS1NOS2ALDH1A1DPP7 | |
| SCHEMBL7986441 | 0.77 | METAP2 (0.41) | — | |
| SCHEMBL7986448 | 0.77 | METAP2 (0.41) | — | |
| SCHEMBL7989626 | 0.77 | DDAH1 (0.41) | NOS3NOS1NOS2ALDH1A1DPP7 |
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-2001040198-A2 | MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS | AVENTIS PHARMA S.A. (FR) | 2001-06-07 | — | — | WO | disclosed |