Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | MYC | P01106 | 1/20 | 0.52 |
| ▸ | MAX | P61244 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 4/20 | 0.51 |
| ▸ | CA2 | P00918 | 4/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | DHODH | Q02127 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ERN1 | O75460 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5696165 | 0.87 | TSHR (0.88) | TSHRCYP3A4SMN1; SMN2LMNAGAA | |
| SCHEMBL3725488 | 0.85 | TSHR (0.68) | TSHRCYP3A4SMN1; SMN2LMNAGAA | |
| Urea SCHEMBL28797638 | 0.82 | TSHR (0.65) | TSHRLMNAGAAPOLBMAPK1 | |
| SCHEMBL9321465 | 0.82 | CA1 (0.59) | TSHRLMNAGAAPOLBMAPK1 | |
| SCHEMBL28203192 | 0.82 | SMN1; SMN2 (0.62) | TSHRCYP3A4SMN1; SMN2LMNAGAA | |
| SCHEMBL260727 | 0.81 | TSHR (1.00) | TSHRCYP3A4SMN1; SMN2LMNAGAA | |
| Terephthalamide SCHEMBL27950892 | 0.81 | TSHR (1.00) | TSHRCYP3A4SMN1; SMN2LMNAGAA | |
| Nitromide SCHEMBL9225099 | 0.80 | TSHR (0.81) | TSHRCYP3A4SMN1; SMN2LMNAGAA | |
| Hydrochloric Acid SCHEMBL11203029 | 0.79 | TSHR (0.96) | TSHRCYP3A4SMN1; SMN2LMNAGAA | |
| SCHEMBL28194982 | 0.79 | CYP3A4 (0.57) | TSHRCYP3A4SMN1; SMN2LMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-104650111-A | Aryl urea and aryl amide substituted oxaole pyrimindine compounds as well as preparation method and application thereof | UNIV CHINA PHARMA | 2015-05-27 | — | — | CN | disclosed |