Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL871442 | 0.92 | ADAM17 (0.46) | ADAM17EPHX2TSHRALDH1A1CYP3A4 | |
| SCHEMBL8053435 | 0.90 | ADAM17 (0.45) | ADAM17EPHX2TSHRALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL8049068 | 0.88 | ADAM17 (0.44) | ADAM17EPHX2TSHRALDH1A1CYP3A4 | |
| SCHEMBL8049066 | 0.87 | EPHX2 (0.44) | ADAM17EPHX2TSHRALDH1A1CYP3A4 | |
| SCHEMBL7936878 | 0.86 | DPP4 (0.46) | ADAM17EPHX2ALDH1A1OPRM1OPRL1 | |
| SCHEMBL8536152 | 0.85 | OPRM1 (0.47) | ADAM17EPHX2ALDH1A1LMNAOPRM1 | |
| SCHEMBL297404 | 0.84 | ADAM17 (0.45) | ADAM17EPHX2TSHRALDH1A1CYP3A4 | |
| SCHEMBL15306513 | 0.84 | ADAM17 (0.45) | ADAM17EPHX2TSHRALDH1A1CYP3A4 | |
| SCHEMBL15927866 | 0.83 | ADAM17 (0.46) | ADAM17EPHX2TSHRALDH1A1CYP3A4 | |
| SCHEMBL12277199 | 0.82 | LMNA (0.46) | ADAM17EPHX2TSHRALDH1A1CYP3A4 |
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-6080750-A | FOR PROPHYLAXIS AND TREATMENT OF DISEASES CAUSED BY INFECTION BY ROTAVIRUS | NIPPON SHOJI KAISHA LTD. (JP) | 2000-06-27 | — | — | US | disclosed |
| EP-0806418-A2 | Novel pyrimidine compound and anti-rotavirus agent | NIPPON SHOJI KAISHA, LIMITED (JP) | 1997-11-12 | — | — | EP | disclosed |