Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10749886 | 0.78 | ALDH1A1 (0.46) | ALDH1A1NPSR1GLO1LMNAHSD17B10 | |
| SCHEMBL114311 | 0.77 | ALDH1A1 (0.42) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| SCHEMBL6656554 | 0.74 | ALDH1A1 (0.45) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| Bromide SCHEMBL112647 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| Bromide SCHEMBL112648 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| SCHEMBL263999 | 0.74 | — | — | |
| SCHEMBL1732572 | 0.74 | — | — | |
| SCHEMBL1732517 | 0.74 | — | — | |
| SCHEMBL112649 | 0.72 | NPSR1 (0.41) | ALDH1A1TRPA1NPSR1GLO1LMNA | |
| SCHEMBL1359751 | 0.72 | — | — |
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-3164509-B1 | INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 | CELGENE QUANTICEL RES INC (US) | 2021-12-29 | — | — | EP | disclosed |