Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 4/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 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 | |
|---|---|---|---|---|
| SCHEMBL28955966 | 1.00 | MEN1 (0.35) | MEN1CYP3A4PTGS1DRD3KMT2A | |
| SCHEMBL10268052 | 0.87 | MEN1 (0.40) | MEN1CYP3A4PTGS1DRD3KMT2A | |
| SCHEMBL20869233 | 0.82 | ALDH1A1 (0.34) | ALDH1A1ALOX15MAPK1HSD17B10TDP1 | |
| SCHEMBL15692569 | 0.80 | KMO (0.46) | ALDH1A1MMP13KMO | |
| SCHEMBL15942789 | 0.80 | CYP3A4 (0.35) | MEN1CYP3A4PTGS1DRD3KMT2A | |
| SCHEMBL10228362 | 0.77 | CYP1A2 (0.50) | MEN1KMT2AALDH1A1TSHRGABRP | |
| SCHEMBL882667 | 0.77 | ALDH1A1 (0.39) | ALDH1A1ALOX15MAPK1HSD17B10TDP1 | |
| SCHEMBL1671322 | 0.77 | KMO (0.50) | ALDH1A1KMO | |
| SCHEMBL13973790 | 0.76 | GABRP (0.37) | MEN1CYP3A4PTGS1DRD3KMT2A | |
| SCHEMBL25692504 | 0.76 | MMP13 (0.48) | ALDH1A1ALOX15MAPK1HSD17B10TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115551841-A | Azetidin-3-ylcarbinol derivatives as modulators of the CCR6 receptor | 爱杜西亚药品有限公司 | 2022-12-30 | — | — | CN | disclosed |