Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30501189 | 0.95 | SIGMAR1 (0.44) | CYP1A2RXRAKDM4EHTR2AHRH1 | |
| SCHEMBL30297855 | 0.89 | CYP1A2 (0.46) | CYP1A2KDM4EALDH1A1MAPTRAB9A | |
| SCHEMBL4950343 | 0.82 | ASAH1 (0.56) | CYP1A2ALDH1A1DRD3ASAH1 | |
| SCHEMBL31682342 | 0.81 | GAA (0.53) | CYP1A2KDM4EALDH1A1MAPTRAB9A | |
| SCHEMBL27387263 | 0.81 | ASAH1 (0.59) | CYP1A2ALDH1A1ASAH1 | |
| SCHEMBL4079545 | 0.80 | CYP1A2 (0.44) | CYP1A2KDM4EALDH1A1MAPTRAB9A | |
| SCHEMBL4813089 | 0.80 | MAPT (0.45) | CYP1A2KDM4EALDH1A1MAPTRAB9A | |
| SCHEMBL13134034 | 0.79 | CYP1A2 (0.47) | CYP1A2KDM4EALDH1A1MAPTRAB9A | |
| SCHEMBL22649169 | 0.79 | CYP1A2 (0.43) | CYP1A2KDM4EALDH1A1MAPTRAB9A | |
| SCHEMBL28876218 | 0.77 | CYP1A2 (0.42) | CYP1A2KDM4EALDH1A1MAPTRAB9A |
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-1999063933-A9 | MULTIVALENT AGONISTS, PARTIAL AGONISTS AND ANTAGONISTS OF THE GABA RECEPTORS | ADVANCED MEDICINE INC (US) | 2000-04-27 | — | — | WO | disclosed |