Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 2/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.41 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | TLR2 | O60603 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13980276 | 0.80 | TSHR (0.51) | PSMB5BACE1CASP3CYP1A2HTT | |
| SCHEMBL31028691 | 0.77 | BACE1 (0.53) | PSMB5BACE1RXFP1CASP3CYP1A2 | |
| SCHEMBL11584110 | 0.77 | ALDH1A1 (0.58) | PSMB5BACE1RXFP1CASP3CYP1A2 | |
| SCHEMBL24204479 | 0.77 | KDM4E (0.53) | BACE1ALDH1A1HTTTSHRMEN1 | |
| SCHEMBL27776037 | 0.77 | TSHR (0.36) | PSMB5CASP3CYP1A2ALDH1A1TSHR | |
| SCHEMBL13997 | 0.76 | PSMB5 (0.47) | PSMB5BACE1RXFP1CASP3CYP1A2 | |
| SCHEMBL30072276 | 0.75 | PRNP (0.50) | RXFP1ALDH1A1PRNPPPARGNR2E3 | |
| SCHEMBL14011334 | 0.74 | KDM4E (0.56) | RXFP1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8354251 | 0.74 | GRM1 (0.50) | PSMB5BACE1RXFP1CASP3CYP1A2 | |
| SCHEMBL29768297 | 0.74 | BACE1 (0.58) | PSMB5BACE1CYP1A2CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2027108-B1 | HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE | GLAXO GROUP LTD (GB) | 2010-01-13 | — | — | EP | disclosed |