Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8532241 | 1.00 | IDO1 (0.43) | IDO1AGXTKCNH2TAAR1MAOB | |
| SCHEMBL6207806 | 1.00 | IDO1 (0.43) | IDO1AGXTKCNH2TAAR1MAOB | |
| SCHEMBL2091740 | 0.79 | KCNH2 (0.45) | IDO1AGXTKCNH2TAAR1MAOB | |
| SCHEMBL9430337 | 0.79 | KCNH2 (0.49) | IDO1AGXTKCNH2TAAR1MAOB | |
| SCHEMBL2091738 | 0.79 | KCNH2 (0.45) | IDO1AGXTKCNH2TAAR1MAOB | |
| SCHEMBL28224562 | 0.78 | IDO1 (0.44) | IDO1TAAR1MAOBCYP2A6HTR2A | |
| SCHEMBL28743524 | 0.78 | IDO1 (0.44) | IDO1TAAR1MAOBCYP2A6HTR2A | |
| SCHEMBL9147464 | 0.77 | TAAR1 (0.46) | IDO1AGXTKCNH2TAAR1MAOB | |
| SCHEMBL9147471 | 0.77 | TAAR1 (0.46) | IDO1AGXTKCNH2TAAR1MAOB | |
| SCHEMBL9047930 | 0.76 | IDO1 (0.43) | IDO1AGXTKCNH2TAAR1MAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108101826-B | Indole-substituted alkylamine compound and application thereof | 华东理工大学 | 2022-05-10 | — | — | CN | disclosed |
| EP-0672660-B1 | Substituted cyclohexanol-esters, their use to treat illnesses and pharmaceutical preparations | SANOFI AVENTIS DEUTSCHLAND (DE) | 2005-11-09 | — | — | EP | disclosed |
| EP-0672660-A2 | Substituted cyclohexanol-esters, their use to treat illnesses and pharmaceutical preparations | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-09-20 | — | — | EP | disclosed |