Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.50 |
| ▸ | NOS1 | P29475 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | VHL | P40337 | 1/20 | 0.38 |
| ▸ | ELOC | Q15369 | 1/20 | 0.38 |
| ▸ | ELOB | Q15370 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL41775 | 0.76 | TSHR (0.67) | NOS3NOS1TSHRPRSS1PRSS2 | |
| SCHEMBL13946507 | 0.74 | NOS3 (0.50) | NOS3NOS1TSHRPRSS1PRSS2 | |
| SCHEMBL13633309 | 0.73 | P2RY6 (0.68) | NOS3NOS1TSHRPRSS1PRSS2 | |
| Fluoride SCHEMBL28282617 | 0.73 | TSHR (0.62) | NOS3NOS1TSHRPRSS1PRSS2 | |
| SCHEMBL29413339 | 0.73 | TSHR (0.62) | NOS3NOS1TSHRPRSS1PRSS2 | |
| SCHEMBL28347659 | 0.72 | NOS3 (0.48) | NOS3NOS1TSHRPRSS1PRSS2 | |
| SCHEMBL14690485 | 0.70 | TSHR (0.59) | NOS3NOS1TSHRVHLELOC | |
| SCHEMBL27685590 | 0.70 | ADRA2A (0.71) | NOS3NOS1PRSS1CA12CA1 | |
| SCHEMBL14352337 | 0.70 | NPC1 (0.56) | NOS3NOS1CA12CA2CA7 | |
| SCHEMBL13482873 | 0.70 | NOS3 (0.52) | NOS3NOS1TSHRPRSS1PRSS2 |
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-2022136147-A1 | BISPIDINE DERIVATIVES AND THE USE THEREOF | HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF E.V. (DE) | 2022-06-30 | — | — | WO | disclosed |