Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 12/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3623208 | 0.95 | HTR6 (0.56) | HTR6KDM4EALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL3625769 | 0.88 | HTR6 (0.64) | HTR6KDM4EALDH1A1CYP2D6CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL3609112 | 0.87 | KDM4E (0.47) | HTR6KDM4EALDH1A1CYP2D6CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL4022768 | 0.81 | KDM4E (0.42) | HTR6KDM4EALDH1A1CYP2D6CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL3624912 | 0.80 | HTR6 (0.56) | HTR6CYP2D6CYP3A4 | |
| SCHEMBL3623475 | 0.80 | HTR6 (0.53) | HTR6KDM4EALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL3620812 | 0.79 | KDM4E (0.52) | HTR6KDM4EALDH1A1CYP2D6CYP3A4 | |
| SCHEMBL3617754 | 0.77 | HTR6 (0.58) | HTR6KDM4EALDH1A1POLB | |
| SCHEMBL3622607 | 0.76 | HTR6 (0.48) | HTR6KDM4EALDH1A1CYP2D6CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL3623292 | 0.75 | HTR6 (0.56) | HTR6CYP2D6CYP3A4TP53 |
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 |