Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | TPO | P07202 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL155702 | 0.84 | TSHR (0.56) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL14763820 | 0.84 | TSHR (0.56) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL9510653 | 0.81 | TSHR (0.48) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL812240 | 0.81 | TSHR (0.52) | TSHRIDO1AGXTTDP1L3MBTL1 | |
| SCHEMBL20582042 | 0.81 | TSHR (0.52) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL14193191 | 0.81 | TSHR (0.52) | TSHRIDO1AGXTTDP1L3MBTL1 | |
| SCHEMBL811581 | 0.81 | TSHR (0.52) | TSHRIDO1AGXTTDP1L3MBTL1 | |
| SCHEMBL11765481 | 0.81 | TSHR (0.52) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL4781157 | 0.81 | TSHR (0.52) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL5240701 | 0.81 | TSHR (0.52) | TSHRCA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2049491-B1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARM INC (US) | 2010-10-20 | — | — | EP | disclosed |