Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6780016 | 0.80 | OPRL1 (0.43) | KDM4EALDH1A1HSD17B10SIGMAR1SCN9A | |
| SCHEMBL22085 | 0.78 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19TSHRKDM4E | |
| SCHEMBL4982821 | 0.78 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19TSHRKDM4E | |
| SCHEMBL6299940 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19TSHRKDM4E | |
| SCHEMBL4072836 | 0.74 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19TSHRKDM4E | |
| SCHEMBL7247950 | 0.73 | ADRA2A (0.44) | TSHRALDH1A1POLBHSD17B10MAPT | |
| SCHEMBL7248585 | 0.72 | ACHE (0.40) | TSHRSCN9A | |
| SCHEMBL7244783 | 0.71 | POLB (0.55) | CYP1A2CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL2308910 | 0.70 | CYP1A2 (0.72) | CYP1A2CYP2C9CYP2C19TSHRKDM4E | |
| SCHEMBL2355777 | 0.70 | CYP1A2 (0.72) | CYP1A2CYP2C9CYP2C19TSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6632811-B2 | Administering cycloalkyl, lactam, lactone compounds for for inhibiting beta -amyloid peptide release and/or its synthesis in a cell | ATHENA NEUROSCIENCES, INC. | 2003-10-14 | — | — | US | disclosed |