Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 9/20 | 0.34 |
| ▸ | THRA | P10827 | 6/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | ACR | P10323 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14192462 | 0.90 | THRB (0.39) | CYP2C9MAPTALDH1A1LMNATHRB | |
| SCHEMBL14192521 | 0.87 | CYP2C9 (0.52) | CYP2C9MAPTALDH1A1LMNATHRB | |
| SCHEMBL14192445 | 0.84 | CYP2C9 (0.55) | CYP2C9MAPTALDH1A1LMNATHRB | |
| SCHEMBL14192430 | 0.84 | CYP2C9 (0.55) | CYP2C9MAPTALDH1A1LMNATHRB | |
| SCHEMBL10637241 | 0.81 | NPC1 (0.51) | CYP2C9MAPTALDH1A1LMNANPC1 | |
| SCHEMBL10637235 | 0.81 | NPC1 (0.51) | CYP2C9MAPTALDH1A1LMNANPC1 | |
| SCHEMBL14192510 | 0.81 | CYP2C9 (0.52) | CYP2C9MAPTALDH1A1LMNATHRB | |
| SCHEMBL14192540 | 0.78 | ELANE (0.44) | CYP2C9MAPTALDH1A1LMNATHRB | |
| SCHEMBL14192399 | 0.78 | ELANE (0.44) | CYP2C9MAPTALDH1A1LMNATHRB | |
| SCHEMBL14192463 | 0.78 | NPC1 (0.33) | THRBTHRANPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7357964-B2 | Liquid-crystalline vinyl ketone derivatives and their polymers | CHISSO CORPORATION (JP) | 2008-04-15 | — | — | US | disclosed |