Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.44 |
| ▸ | RELA | Q04206 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 5/20 | 0.41 |
| ▸ | THRB | P10828 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14192587 | 0.86 | HTT (0.34) | CYP3A4SMN1; SMN2PDK2MAPTTHRA | |
| SCHEMBL14192490 | 0.84 | LMNA (0.49) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14192562 | 0.81 | NPC1 (0.47) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4577939 | 0.80 | NPC1 (0.66) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6536523 | 0.79 | THRB (0.57) | PDK2PTPN11THRATHRB | |
| SCHEMBL14192561 | 0.78 | NPC1 (0.48) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14192586 | 0.78 | PTPN11 (0.44) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14192425 | 0.77 | NPC1 (0.62) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14192529 | 0.77 | NPC1 (0.51) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14088457 | 0.77 | PDK2 (0.47) | PDK2PTPN11THRB |
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 |