Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 9/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16200314 | 0.85 | ALDH1A1 (0.38) | GAANPC1POLBGFERTAS1R3 | |
| SCHEMBL13178798 | 0.83 | CYP2D6 (0.47) | CYP2D6HTR2ASLC6A4KCNH2GAA | |
| SCHEMBL16200313 | 0.82 | PGK1 (0.41) | GAANPC1POLBGFERTAS1R3 | |
| SCHEMBL16200318 | 0.80 | ACACB (0.43) | NPC1TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL14043724 | 0.79 | CYP2D6 (0.44) | CYP2D6HTR2ASLC6A4KCNH2GAA | |
| SCHEMBL13178807 | 0.79 | GAA (0.46) | GAANPC1POLBGFER | |
| SCHEMBL16200302 | 0.79 | GAA (0.41) | GAANPC1POLBGFERALDH1A1 | |
| SCHEMBL16200299 | 0.77 | SMN1; SMN2 (0.41) | HTR2AGAAALDH1A1 | |
| SCHEMBL16200317 | 0.76 | LMNA (0.39) | HTR2AALDH1A1 | |
| SCHEMBL13178817 | 0.76 | GLA (0.41) | HTR2ASLC6A4KCNH2GAANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |
| US-7589199-B2 | Substituted piperazines | CHEMOCENTRYX, INC. (US) | 2009-09-15 | — | — | US | disclosed |