Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.34 |
| ▸ | HTR3B | O95264 | 3/20 | 0.34 |
| ▸ | HTR3A | P46098 | 3/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP4 | P49662 | 1/20 | 0.33 |
| ▸ | CASP5 | P51878 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL726036 | 0.83 | ADRB2 (0.41) | ADRB2PLD1NCF1ALDH1A1KDM4E | |
| SCHEMBL3712448 | 0.80 | CHRNB2 (0.33) | CHRNB2CHRNA4 | |
| SCHEMBL13611642 | 0.68 | ADRB2 (0.46) | ADRB2PLD1NCF1ALDH1A1KDM4E | |
| SCHEMBL2066449 | 0.67 | ADRB1 (0.38) | ADRB2PLD1NCF1ALDH1A1KDM4E | |
| SCHEMBL4418589 | 0.66 | ADRB2 (0.35) | ADRB2PLD1NCF1ALDH1A1KDM4E | |
| SCHEMBL1420015 | 0.65 | ADRB1 (0.36) | ADRB2PLD1NCF1ALDH1A1KDM4E | |
| SCHEMBL726035 | 0.64 | ADRB2 (0.37) | ADRB2PLD1NCF1ALDH1A1KDM4E | |
| SCHEMBL27511861 | 0.62 | ADRB2 (0.36) | ADRB2PLD1NCF1ALDH1A1KDM4E | |
| SCHEMBL3833595 | 0.62 | ADRB1 (0.39) | NCF1ALDH1A1KDM4EADRB1HTR3E | |
| SCHEMBL2175146 | 0.62 | — | — |
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-1696931-B1 | AMINO SUBSTITUTED DIARYL[A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS | ACADIA PHARM INC (US) | 2009-03-25 | — | — | EP | disclosed |