Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.54 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8384856 | 0.90 | HSD17B10 (0.59) | HSD17B10CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL2220947 | 0.88 | HSD17B10 (0.59) | HSD17B10CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL5596451 | 0.84 | HSD17B10 (0.56) | HSD17B10CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL20340743 | 0.81 | CYP1A2 (0.53) | HSD17B10CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL17722824 | 0.81 | CYP1A2 (0.53) | HSD17B10CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL23861465 | 0.80 | CYP1A2 (0.51) | HSD17B10CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL17899124 | 0.80 | HPGD (0.56) | HSD17B10CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL7304753 | 0.79 | HSD17B10 (0.59) | HSD17B10CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL11954780 | 0.78 | CYP1A2 (0.58) | HSD17B10CYP1A2CYP2D6CYP2C9HPGD | |
| SCHEMBL23861600 | 0.78 | PTPN22 (0.53) | HSD17B10CYP1A2CYP2D6CYP2C9HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-10788471-B2 | Determining stereoisomeric excess, concentration and absolute configuration | GEORGETOWN UNIVERSITY (US) | 2020-09-29 | — | — | US | disclosed |