Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.65 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 4/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Nicotyrine SCHEMBL29398389 | 0.81 | CYP2A6 (1.00) | ALDH1A1CYP2A6CYP2A13HSD17B10CYP1A2 | |
| Nicotyrine SCHEMBL2996756 | 0.81 | CYP2A6 (1.00) | ALDH1A1CYP2A6CYP2A13HSD17B10CYP1A2 | |
| SCHEMBL21022692 | 0.74 | CYP2A6 (0.69) | ALDH1A1CYP2A6CYP2A13HSD17B10CYP1A2 | |
| Nicotine SCHEMBL11780357 | 0.71 | ALDH1A1 (0.71) | ALDH1A1CYP2A6CYP2A13HSD17B10CYP3A4 | |
| SCHEMBL6242988 | 0.71 | HSD11B1 (0.50) | ALDH1A1HSD17B10TSHRCYP1A2MAPT | |
| SCHEMBL6838679 | 0.71 | HSD11B1 (0.50) | ALDH1A1HSD17B10TSHRCYP1A2MAPT | |
| SCHEMBL15918558 | 0.69 | HTR3E (0.50) | ALDH1A1HSD17B10TSHRCYP1A2CYP2D6 | |
| SCHEMBL13309788 | 0.69 | L3MBTL1 (0.60) | ALDH1A1HSD17B10TSHRCYP1A2CYP3A4 | |
| SCHEMBL30771681 | 0.67 | CYP11B2 (0.50) | ALDH1A1CYP2A6HSD17B10TSHRCYP1A2 | |
| SCHEMBL2460181 | 0.66 | PPARA (0.64) | ALDH1A1CYP2A6CYP2A13HSD17B10TSHR |
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-6767671-B2 | STABILITY; HEAT RESISTANCE | MITSUBISHI CHEMICAL CORPORATION (JP) | 2004-07-27 | — | — | US | disclosed |