Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.34 |
| ▸ | NQO2 | P16083 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL8016298 | 0.92 | SLC6A9 (0.67) | SLC6A9CYP3A4MTNR1AMTNR1BNQO2 | |
| Hydrochloric Acid SCHEMBL989849 | 0.91 | SLC6A9 (0.66) | SLC6A9CYP3A4MTNR1AMTNR1BNQO2 | |
| SCHEMBL12665683 | 0.83 | SLC6A9 (0.62) | SLC6A9CYP3A4MTNR1AMTNR1BNQO2 | |
| SCHEMBL8013404 | 0.83 | SLC6A9 (0.73) | SLC6A9CYP3A4MTNR1AMTNR1BNQO2 | |
| SCHEMBL989105 | 0.83 | SLC6A9 (0.68) | SLC6A9CYP3A4MTNR1AMTNR1BNQO2 | |
| Hydrochloric Acid SCHEMBL991811 | 0.82 | SLC6A9 (0.72) | SLC6A9CYP3A4MTNR1AMTNR1BNQO2 | |
| SCHEMBL988895 | 0.81 | SLC6A9 (0.71) | SLC6A9CYP3A4MTNR1AMTNR1BNQO2 | |
| SCHEMBL8029300 | 0.79 | SLC6A9 (0.63) | SLC6A9CYP3A4 | |
| SCHEMBL12096285 | 0.77 | SLC6A9 (0.72) | SLC6A9CYP3A4 | |
| SCHEMBL988862 | 0.77 | SLC6A9 (0.65) | SLC6A9CYP3A4POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2271625-B1 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBOTT GMBH & CO KG (DE) | 2012-09-12 | — | — | EP | disclosed |