Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL23837455 | 0.79 | TRPA1 (0.42) | TRPA1TSHRL3MBTL1TDP1ALDH1A1 | |
| SCHEMBL17347741 | 0.78 | TRPA1 (0.37) | TRPA1TSHRL3MBTL1TDP1ALDH1A1 | |
| SCHEMBL17337031 | 0.78 | TRPA1 (0.37) | TRPA1TSHRL3MBTL1TDP1ALDH1A1 | |
| SCHEMBL23837397 | 0.78 | MTNR1A (0.30) | MTNR1AMTNR1B | |
| SCHEMBL23837600 | 0.71 | TBXAS1 (0.39) | TSHRTDP1ALDH1A1HSD17B10TP53 | |
| SCHEMBL23837590 | 0.70 | ALDH1A1 (0.39) | TRPA1TSHRL3MBTL1TDP1ALDH1A1 | |
| SCHEMBL23837548 | 0.70 | — | — | |
| SCHEMBL23837423 | 0.70 | TRPA1 (0.37) | TRPA1TSHRL3MBTL1TDP1ALDH1A1 | |
| SCHEMBL17337619 | 0.70 | TSHR (0.35) | TSHRSMN1; SMN2NPC1MAPTRAB9A | |
| SCHEMBL17337616 | 0.70 | TSHR (0.35) | TSHRSMN1; SMN2NPC1MAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3882252-A1 | BETA-LACTAMASE INHIBITORS | Venatorx Pharmaceuticals, Inc. (US) | 2021-09-22 | — | — | EP | disclosed |