Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30071634 | 0.80 | LMNA (0.52) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL3953630 | 0.80 | LMNA (0.52) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL598230 | 0.79 | CYP1A2 (0.65) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL13021187 | 0.78 | LDHA (0.45) | CYP1A2ALDH1A1LMNAHTTPKM | |
| SCHEMBL10560099 | 0.77 | CYP1A2 (0.62) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL6885497 | 0.77 | CYP1A2 (0.63) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL28999606 | 0.77 | CYP1A2 (0.58) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL29853748 | 0.77 | CYP1A2 (0.58) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 | |
| SCHEMBL19400459 | 0.77 | CYP3A4 (0.37) | CYP1A2ALDH1A1ATMLMNAHTT | |
| SCHEMBL19425721 | 0.76 | HSD17B1 (0.55) | CYP1A2ALDH1A1HPGDHSD17B10CYP2A6 |
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-3504293-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-05-13 | — | — | EP | disclosed |