Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27764948 | 0.81 | MCL1 (0.50) | MCL1CYP2A6ROCK1NPC1ALDH1A1 | |
| SCHEMBL21803746 | 0.81 | MCL1 (0.54) | MCL1CYP2A6ROCK1NPC1ALDH1A1 | |
| SCHEMBL19100040 | 0.80 | MCL1 (0.57) | MCL1ALDH1A1SMN1; SMN2HDAC8HDAC6 | |
| SCHEMBL27786799 | 0.77 | GRIN2D (0.50) | MCL1ALDH1A1MAPTGRIN2DGRIN3B | |
| SCHEMBL21812440 | 0.74 | MCL1 (0.58) | MCL1CYP2A6ROCK1NPC1ALDH1A1 | |
| SCHEMBL2382747 | 0.72 | MCL1 (0.56) | MCL1NPC1ALDH1A1TP53MAPT | |
| SCHEMBL17422809 | 0.71 | MCL1 (0.54) | MCL1CYP2A6ROCK1NPC1ALDH1A1 | |
| SCHEMBL6992638 | 0.70 | KDM4E (0.41) | MCL1ALDH1A1MAPTHDAC8HDAC6 | |
| SCHEMBL6992637 | 0.70 | KDM4E (0.41) | MCL1ALDH1A1MAPTHDAC8HDAC6 | |
| SCHEMBL16440989 | 0.68 | MCL1 (0.51) | MCL1MAOAMAOBROCK1NPC1 |
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 |