Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | RHEB | Q15382 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL30155391 | 0.82 | CYP1A2 (0.52) | CYP1A2ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL993946 | 0.82 | CYP1A2 (0.52) | CYP1A2ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL20915014 | 0.80 | ALDH1A1 (0.42) | CYP1A2ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL30597608 | 0.78 | AHR (0.50) | RHEBALDH1A1AHR | |
| SCHEMBL996179 | 0.78 | AHR (0.50) | RHEBALDH1A1AHR | |
| SCHEMBL12359788 | 0.71 | ALDH1A1 (0.46) | RHEBALDH1A1AHRMAPTGAA | |
| SCHEMBL4748223 | 0.70 | TDP1 (0.54) | CYP1A2ALDH1A1TDP1L3MBTL1MEN1 | |
| Ethoxycarbonyl Group SCHEMBL27778366 | 0.68 | RHEB (0.40) | RHEBAHR | |
| SCHEMBL259652 | 0.68 | GRIN2D (0.49) | CYP1A2ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL15910939 | 0.68 | HTR6 (0.43) | CYP1A2ALDH1A1GRIN2DGRIN3BGRIN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046741-A1 | INDOLES AS 5-HT6 MODULATORS | BIOVITRUM AB (publ) (SE) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008003703-A1 | INDOLES AS 5-HT6 MODULATORS | BIOVITRUM AB (PUBL) (SE) | 2008-01-10 | — | — | WO | disclosed |