Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | MYC | P01106 | 1/20 | 0.37 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 6/20 | 0.34 |
| ▸ | RARA | P10276 | 3/20 | 0.33 |
| ▸ | RXRB | P28702 | 3/20 | 0.33 |
| ▸ | RXRG | P48443 | 3/20 | 0.33 |
| ▸ | RARB | P10826 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL481776 | 0.78 | TSHR (0.41) | TSHRALOX15ESR1MYCPTPN7 | |
| SCHEMBL10148368 | 0.67 | CREBBP (0.50) | TSHRALOX15ESR1MYCPTPN7 | |
| SCHEMBL11894061 | 0.67 | TDP1 (0.43) | TSHRALOX15ESR1MYCPTPN7 | |
| SCHEMBL4946903 | 0.65 | KMO (0.54) | TSHRALOX15ESR1MYCPTPN7 | |
| SCHEMBL4951622 | 0.64 | KMO (0.57) | TSHRALOX15ESR1MYCPTPN7 | |
| SCHEMBL29421064 | 0.63 | CES2 (0.63) | TSHRALOX15ESR1MYCPTPN7 | |
| SCHEMBL310259 | 0.63 | CES2 (0.63) | TSHRALOX15ESR1MYCPTPN7 | |
| SCHEMBL320419 | 0.63 | TSHR (0.41) | TSHRALOX15ESR1MYCPTPN7 | |
| SCHEMBL31220241 | 0.63 | TSHR (0.41) | TSHRALOX15ESR1MYCPTPN7 | |
| SCHEMBL30241864 | 0.63 | CDC25B (0.55) | TSHRALOX15ESR1MYCPTPN7 |
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-2078016-B1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2012-02-01 | — | — | EP | disclosed |