Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 13/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18488195 | 0.88 | EDNRA (0.44) | EDNRAKDM4ETSHRHSD17B10 | |
| SCHEMBL18488204 | 0.86 | EDNRA (0.48) | EDNRAKDM4ENSD2TSHRHSD17B10 | |
| SCHEMBL18488194 | 0.75 | EDNRA (0.47) | EDNRAKDM4ETSHRHSD17B10 | |
| SCHEMBL20434654 | 0.73 | EDNRA (0.38) | EDNRAPOLB | |
| SCHEMBL21708230 | 0.73 | SLC40A1 (0.59) | RELASLC40A1KDM4EHSD17B10POLB | |
| SCHEMBL18488202 | 0.73 | EDNRA (0.49) | EDNRAKDM4ENSD2TSHRHSD17B10 | |
| SCHEMBL20434651 | 0.72 | TYMS (0.38) | EDNRAPOLB | |
| SCHEMBL21708333 | 0.72 | MAPT (0.56) | RELASLC40A1 | |
| SCHEMBL18488198 | 0.70 | EDNRA (0.48) | EDNRAKDM4ENSD2TSHRHSD17B10 | |
| SCHEMBL20438862 | 0.69 | CA2 (0.40) | EDNRANSD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017023916-A1 | SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF | GEORGETOWN UNIVERSITY (US) | 2017-02-09 | — | — | WO | disclosed |