Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ESRRA | P11474 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 4/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | TBK1 | Q9UHD2 | 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 SCHEMBL3570724 | 0.99 | IMPDH2 (0.39) | IMPDH2IMPDH1PNMTCYP3A4ESRRA | |
| SCHEMBL10078734 | 0.83 | HTR6 (0.32) | PNMT | |
| Hydrochloric Acid SCHEMBL2840335 | 0.82 | HTR6 (0.31) | — | |
| SCHEMBL10078712 | 0.82 | IMPDH2 (0.40) | IMPDH2IMPDH1PNMTCYP3A4ESRRA | |
| Hydrochloric Acid SCHEMBL2835872 | 0.81 | IMPDH2 (0.39) | IMPDH2IMPDH1PNMTCYP3A4ESRRA | |
| SCHEMBL10078647 | 0.79 | MKNK1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2841261 | 0.78 | IMPDH2 (0.40) | IMPDH2IMPDH1AR | |
| SCHEMBL10078745 | 0.76 | GID4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2839303 | 0.75 | HTR2C (0.33) | — | |
| SCHEMBL2873680 | 0.74 | IMPDH2 (0.42) | IMPDH2IMPDH1PNMTCYP3A4ESRRA |
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 |
|---|---|---|---|---|---|---|---|
| US-8217031-B2 | Heteroaryl derivatives | NIPPON SHINYAKU CO., LTD. (JP) | 2012-07-10 | — | — | US | claimed |
| EP-2141168-A1 | HETEROARYL DERIVATIVES | Nippon Shinyaku Co., Ltd. (JP) | 2010-01-06 | — | — | EP | disclosed |