Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 1/20 | 0.40 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ESRRA | P11474 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 5/20 | 0.31 |
| ▸ | HTR6 | P50406 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 SCHEMBL2835872 | 0.99 | IMPDH2 (0.39) | IMPDH2IMPDH1CYP3A4ESRRAPNMT | |
| SCHEMBL10078641 | 0.86 | HTR2C (0.33) | — | |
| SCHEMBL10078500 | 0.84 | PKM (0.31) | — | |
| Hydrochloric Acid SCHEMBL2841127 | 0.83 | PKM (0.30) | — | |
| SCHEMBL2844093 | 0.82 | IMPDH2 (0.39) | IMPDH2IMPDH1CYP3A4ESRRAPNMT | |
| SCHEMBL2840787 | 0.82 | SLC6A2 (0.38) | HTR6 | |
| Hydrochloric Acid SCHEMBL3570724 | 0.81 | IMPDH2 (0.39) | IMPDH2IMPDH1CYP3A4ESRRAPNMT | |
| Hydrochloric Acid SCHEMBL2837096 | 0.81 | SLC6A2 (0.37) | HTR6 | |
| Hydrochloric Acid SCHEMBL2868875 | 0.76 | HTR2C (0.34) | — | |
| SCHEMBL10078928 | 0.73 | SLC6A4 (0.40) | HTR6 |
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-8217031-B2 | Heteroaryl derivatives | NIPPON SHINYAKU CO., LTD. (JP) | 2012-07-10 | — | — | US | claimed |