Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 17/20 | 0.91 |
| ▸ | SLC6A3 | Q01959 | 17/20 | 0.91 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.91 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.91 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.88 |
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 SCHEMBL2216 | 0.98 | KCNH2 (0.91) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL13253956 | 0.95 | SLC6A4 (1.00) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL3516278 | 0.95 | SLC6A4 (1.00) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL3517967 | 0.94 | KCNH2 (1.00) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL2468 | 0.83 | SLC6A4 (0.65) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL5472576 | 0.82 | SLC6A3 (0.67) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL5472565 | 0.82 | SLC6A3 (0.67) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL2082 | 0.82 | KCNH2 (0.66) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL1822 | 0.82 | SLC6A4 (0.63) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL2504 | 0.81 | SLC6A4 (0.90) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4767790-A | ANTIDEPRESSANTS | THE BOOTS COMPANY PLC (GB) | 1988-08-30 | — | — | US | claimed |
| US-6127424-A | N-METHYL-1-(1-(4-CHLOROPHENYL)CYCLOBUTYL)-3-METHYLBUTYLAMINE OR A PHARMACEUTICALLY SUITABLE SALT AS AN EXAMPLE; BIOAVAILABILITY; SIDE EFFECT REDUCTION | KNOLL AKTIENGESESLLSCHAFT (DE) | 2000-10-03 | — | — | US | disclosed |