Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 10/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5145458 | 0.98 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL4689188 | 0.84 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL4691582 | 0.84 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL14331194 | 0.81 | AKT1 (0.58) | — | |
| SCHEMBL11083248 | 0.79 | GABBR2 (0.51) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL5721057 | 0.77 | CNR1 (0.56) | CNR2 | |
| Hydrochloric Acid SCHEMBL6410168 | 0.77 | ESR1 (0.63) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL9883275 | 0.77 | SLC6A2 (0.53) | SLC6A2SLC6A4SLC6A3TAAR1MEN1 | |
| SCHEMBL7666332 | 0.76 | SLC6A4 (0.47) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL5721052 | 0.76 | CNR1 (0.55) | CNR2 |
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-2004103278-A2 | ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-12-02 | — | — | WO | disclosed |