Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | IDO1 | P14902 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | ATP6V1B1 | P15313 | 1/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31448047 | 1.00 | CYP2A6 (0.60) | CYP2A6MAPTIDO1NPSR1CYP1A2 | |
| SCHEMBL2458425 | 0.87 | CYP2A6 (0.69) | CYP2A6MAPTIDO1NPSR1CYP1A2 | |
| SCHEMBL2458423 | 0.87 | CYP2A6 (0.69) | CYP2A6MAPTIDO1NPSR1CYP1A2 | |
| SCHEMBL18830862 | 0.87 | CYP2A6 (0.55) | CYP2A6MAPTIDO1NPSR1CYP1A2 | |
| SCHEMBL219866 | 0.83 | CYP2A6 (0.64) | CYP2A6MAPTIDO1NPSR1CYP1A2 | |
| SCHEMBL15359580 | 0.83 | CYP2A6 (0.64) | CYP2A6MAPTIDO1NPSR1CYP1A2 | |
| SCHEMBL6159293 | 0.81 | CYP2A6 (0.56) | CYP2A6MAPTIDO1NPSR1CYP1A2 | |
| SCHEMBL23098043 | 0.80 | CYP2A6 (0.51) | CYP2A6MAPTIDO1NPSR1CYP1A2 | |
| SCHEMBL10105480 | 0.79 | CYP2A6 (0.55) | CYP2A6MAPTIDO1NPSR1CYP1A2 | |
| SCHEMBL28181946 | 0.79 | CYP2A6 (0.69) | CYP2A6MAPTIDO1NPSR1CYP1A2 |
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-101585801-A | Tetrahydrocarbazole compound and synthetic method thereof that the 3-indyl replaces | UNIV HUAZHONG NORMAL (CN) | 2009-11-25 | — | — | CN | disclosed |