Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15237907 | 0.85 | TSHR (0.48) | TSHRHPGDALDH1A1MAPK1USP2 | |
| SCHEMBL254475 | 0.84 | TSHR (0.47) | TSHRHPGDALDH1A1MAPK1USP2 | |
| SCHEMBL15235754 | 0.84 | TSHR (0.42) | TSHRHPGDALDH1A1MAPK1USP2 | |
| SCHEMBL28023317 | 0.72 | HPGD (0.48) | HPGDALDH1A1MAPK1USP2NPC1 | |
| SCHEMBL15235756 | 0.72 | HPGD (0.40) | HPGDALDH1A1MAPK1USP2NPC1 | |
| SCHEMBL15237905 | 0.71 | TSHR (0.48) | TSHR | |
| SCHEMBL15944431 | 0.69 | HPGD (0.42) | TSHRHPGDALDH1A1MAPK1USP2 | |
| SCHEMBL15235761 | 0.68 | PPARG (0.40) | TSHRHPGDALDH1A1USP2NPC1 | |
| SCHEMBL28023324 | 0.67 | HPGD (0.45) | HPGDALDH1A1MAPK1USP2NPC1 | |
| SCHEMBL12240328 | 0.67 | HPGD (0.49) | HPGDALDH1A1USP2NPC1TP53 |
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-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |