Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL29363767 | 0.90 | KCNH2 (0.44) | CYP2D6USP2SIGMAR1KCNH2IDO1 | |
| SCHEMBL31118222 | 0.87 | KCNH2 (0.42) | CYP2D6USP2SIGMAR1KCNH2IDO1 | |
| SCHEMBL22719337 | 0.81 | LMNA (0.43) | CYP2D6USP2SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL7844991 | 0.79 | LMNA (0.45) | CYP2D6USP2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL20070372 | 0.78 | SIGMAR1 (0.56) | CYP2D6USP2SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL22728358 | 0.78 | BACE1 (0.43) | CYP2D6USP2SLC6A2SLC6A4IDO1 | |
| SCHEMBL6027203 | 0.78 | BACE1 (0.37) | CYP2D6USP2SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL28123155 | 0.77 | SLC6A2 (0.42) | CYP2D6SLC6A2SLC6A4KCNH2SLC6A3 | |
| Hydrochloric Acid SCHEMBL20138396 | 0.77 | SIGMAR1 (0.55) | CYP2D6USP2SIGMAR1SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL28123265 | 0.77 | BACE1 (0.42) | CYP2D6USP2SIGMAR1SLC6A2SLC6A4 |
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-2004010942-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS AS MODULATORS OF THE CCR5 RECEPTOR | SMITHKLINE BEECHAM CORPORATION (US) | 2004-02-05 | — | — | WO | disclosed |