Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | XBP1 | P17861 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 4/20 | 0.31 |
| ▸ | CA9 | Q16790 | 4/20 | 0.31 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2951432 | 0.75 | — | — | |
| SCHEMBL2951428 | 0.75 | — | — | |
| SCHEMBL2813758 | 0.73 | TSHR (0.35) | CA12CA9CA1CA2TSHR | |
| SCHEMBL2813755 | 0.73 | TSHR (0.35) | CA12CA9CA1CA2TSHR | |
| SCHEMBL1567471 | 0.68 | — | — | |
| SCHEMBL2951820 | 0.67 | NLRP3 (0.55) | NPC1MAPTXBP1MAPK1AGTR1 | |
| SCHEMBL2951827 | 0.67 | NLRP3 (0.55) | NPC1MAPTXBP1MAPK1AGTR1 | |
| SCHEMBL60544 | 0.64 | TSHR (0.38) | MAPTCA12CA9NLRP3CA1 | |
| SCHEMBL28773473 | 0.63 | NLRP3 (0.35) | NLRP3TSHR | |
| SCHEMBL30425410 | 0.62 | — | — |
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-2537839-B1 | B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF | NISSAN CHEMICAL IND LTD (JP) | 2016-12-14 | — | — | EP | disclosed |