Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 3/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6768118 | 0.99 | CHRNB4 (0.41) | CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4 | |
| SCHEMBL6768461 | 0.83 | TDP1 (0.41) | CYP2D6DRD2TSHRDRD1HTR2A | |
| SCHEMBL6763407 | 0.82 | TSHR (0.42) | CYP2D6DRD2TSHRDRD1HTR2A | |
| Hydrochloric Acid SCHEMBL6766915 | 0.82 | TDP1 (0.40) | CYP2D6DRD2TSHRDRD1HTR2A | |
| Hydrochloric Acid SCHEMBL6766958 | 0.81 | TSHR (0.41) | CYP2D6DRD2TSHRDRD1HTR2A | |
| SCHEMBL6763485 | 0.81 | CYP11B1 (0.36) | CHRM2CYP3A4CHRM1TSHRDRD3 | |
| SCHEMBL5781776 | 0.80 | HTR7 (0.38) | CHRM2CYP3A4CHRM1DRD2TSHR | |
| SCHEMBL5779879 | 0.80 | POLB (0.45) | DRD1 | |
| Hydrochloric Acid SCHEMBL5780676 | 0.79 | HTR7 (0.37) | DRD2DRD1HRH1 | |
| Hydrochloric Acid SCHEMBL5777092 | 0.79 | POLB (0.44) | DRD1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1153922-A1 | HETERODIAZINONE DERIVATIVES | Eisai Co., Ltd. (JP) | 2001-11-14 | — | — | EP | claimed |
| US-6825192-B1 | NON-N-METHYL-D-ASPARTATE (NON- NMDA) EXCITATORY AMINO ACID RECEPTOR ANTAGONISTIC ACTION, FOR EXAMPLE 2-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLE PROPIONIC ACID (AMPA) RECEPTOR ANTAGONISTIC ACTION | EISAI CO., LTD. (JP) | 2004-11-30 | — | — | US | disclosed |
| EP-1153922-A1 | HETERODIAZINONE DERIVATIVES | Eisai Co., Ltd. (JP) | 2001-11-14 | — | — | EP | disclosed |