Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | BDKRB1 | P46663 | 3/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL990533 | 0.91 | POLB (0.39) | SLC6A9CYP3A4KDM4EPOLBL3MBTL1 | |
| SCHEMBL988947 | 0.89 | SLC6A9 (0.42) | SLC6A9CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL989558 | 0.83 | SLC6A9 (0.44) | SLC6A9CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL989592 | 0.82 | SLC6A9 (0.42) | SLC6A9CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL989091 | 0.82 | SLC6A9 (0.43) | SLC6A9CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL990351 | 0.81 | SLC6A9 (0.43) | SLC6A9CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL988859 | 0.81 | SLC6A9 (0.43) | SLC6A9CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1860185 | 0.81 | SLC6A9 (0.41) | SLC6A9CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL988888 | 0.80 | SLC6A9 (0.57) | SLC6A9CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL989898 | 0.80 | PDK2 (0.39) | SLC6A9CYP3A4KDM4EPOLBBDKRB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009121872-A2 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBOTT GMBH & CO. KG (DE) | 2009-10-08 | — | — | WO | disclosed |