Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.64 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.64 |
| ▸ | DRD1 | P21728 | 2/20 | 0.64 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.64 |
| ▸ | DRD3 | P35462 | 2/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | HTR1A | P08908 | 1/20 | 0.64 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.45 |
| ▸ | HTR2A | P28223 | 10/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11206692 | 0.94 | CHRM2 (0.59) | CYP3A4CHRM2CHRM1CYP1A2CYP2D6 | |
| Bromide SCHEMBL11210620 | 0.93 | CHRM2 (0.58) | CYP3A4CHRM2CHRM1CYP1A2CYP2D6 | |
| SCHEMBL11208075 | 0.84 | CYP3A4 (0.44) | CYP3A4CHRM2CHRM1CYP1A2CYP2D6 | |
| SCHEMBL11205449 | 0.82 | TSHR (0.47) | CYP3A4CHRM2CHRM1CYP1A2CYP2D6 | |
| Drofenine SCHEMBL25124 | 0.78 | CHRM2 (1.00) | CYP3A4CHRM2CHRM1CYP1A2CYP2D6 | |
| Drofenine SCHEMBL446912 | 0.77 | CYP3A4 (1.00) | CYP3A4CHRM2CHRM1CYP1A2CYP2D6 | |
| SCHEMBL11210963 | 0.77 | HIF1A (0.52) | LMNACHRM3MEN1KMT2AHIF1A | |
| Drofenine SCHEMBL1649803 | 0.76 | CHRM2 (0.95) | CYP3A4CHRM2CHRM1CYP1A2CYP2D6 | |
| SCHEMBL11203584 | 0.76 | CHRM1 (0.47) | CYP3A4CHRM2CHRM1CYP1A2CYP2D6 | |
| SCHEMBL11209018 | 0.76 | HIF1A (0.42) | CHRM2CHRM1CYP2D6TSHRCHRM3 |
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-0094833-A2 | Novel 1,2-benzisoxazole derivatives | Dainippon Pharmaceutical Co., Ltd. (JP) | 1983-11-23 | — | — | EP | disclosed |