Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL88348 | 0.82 | BACE1 (0.57) | BACE1TRPA1CYP1A2CYP2D6DRD2 | |
| Hydrochloric Acid SCHEMBL1772740 | 0.80 | BACE1 (0.56) | BACE1TRPA1CYP1A2CYP2D6DRD2 | |
| SCHEMBL11505754 | 0.79 | TRPA1 (0.41) | BACE1TRPA1DRD2MAPTLMNA | |
| Iodide SCHEMBL7413760 | 0.74 | TRPA1 (0.37) | BACE1TRPA1DRD2LMNACHRM2 | |
| SCHEMBL7418163 | 0.71 | BACE1 (0.46) | BACE1TRPA1CYP1A2CYP2D6DRD2 | |
| SCHEMBL11555179 | 0.69 | DRD2 (0.76) | CYP1A2CYP2D6DRD2KDM4ELMNA | |
| SCHEMBL7417108 | 0.69 | BACE1 (0.51) | BACE1TRPA1CYP1A2CYP2D6DRD2 | |
| SCHEMBL6814192 | 0.68 | LMNA (0.39) | CYP1A2CYP2D6DRD2KDM4EMAPT | |
| SCHEMBL20708485 | 0.66 | — | — | |
| SCHEMBL7388826 | 0.66 | CYP1A2 (0.37) | CYP1A2CYP2D6KDM4EMAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | claimed |
| WO-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |