Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 2/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NCK1 | P16333 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28979 | 0.79 | HTR2A (0.49) | HTR2AHTR2CROCK1MAPTRXFP1 | |
| SCHEMBL29479214 | 0.73 | CYP2A6 (0.42) | MAPTCYP2A6MAOBALDH1A1NPC1 | |
| SCHEMBL29479212 | 0.72 | CDK4 (0.45) | HTR2AHTR2CMAPTALDH1A1CDK4 | |
| SCHEMBL29479213 | 0.72 | CDK4 (0.45) | HTR2AHTR2CMAPTALDH1A1CDK4 | |
| SCHEMBL423394 | 0.72 | PRKCI (0.61) | HTR2AHTR2CROCK1MAPTRXFP1 | |
| SCHEMBL29624271 | 0.72 | PRKCI (0.61) | HTR2AHTR2CROCK1MAPTRXFP1 | |
| SCHEMBL10524329 | 0.72 | HTR2A (0.45) | HTR2AHTR2CROCK1MAPTRXFP1 | |
| SCHEMBL599047 | 0.72 | HTR2A (0.53) | HTR2AHTR2CROCK1MAPTRXFP1 | |
| SCHEMBL5997555 | 0.71 | HTR2A (0.47) | HTR2AHTR2CROCK1MAPTRXFP1 | |
| SCHEMBL14865222 | 0.71 | HTR2A (0.47) | HTR2AHTR2CROCK1MAPTRXFP1 |
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-112708902-B | Method for electrochemically synthesizing indole compounds | 中国科学技术大学 | 2022-03-01 | — | — | CN | disclosed |