Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 18/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 SCHEMBL3616912 | 0.94 | HTR6 (0.50) | HTR6CYP3A4CYP2D6BCHEKDM4E | |
| SCHEMBL4027624 | 0.87 | HTR6 (0.47) | HTR6CYP3A4CYP2D6KDM4EALDH1A1 | |
| SCHEMBL3620113 | 0.87 | HTR6 (0.58) | HTR6CYP3A4CYP2D6POLBGAA | |
| Trifluoroacetic Acid SCHEMBL3624912 | 0.86 | HTR6 (0.56) | HTR6CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL3623237 | 0.86 | HTR6 (0.57) | HTR6CYP3A4CYP2D6POLBGAA | |
| SCHEMBL3622537 | 0.80 | HTR6 (0.53) | HTR6CYP3A4CYP2D6KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3619591 | 0.80 | HTR6 (0.55) | HTR6BCHEPOLB | |
| SCHEMBL3611707 | 0.80 | HTR6 (0.67) | HTR6BCHEALDH1A1POLB | |
| Trifluoroacetic Acid SCHEMBL3621344 | 0.79 | HTR6 (0.42) | HTR6CYP3A4CYP2D6POLB | |
| Trifluoroacetic Acid SCHEMBL3619810 | 0.79 | HTR6 (0.47) | HTR6BCHE |
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 |