Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26833457 | 0.92 | NPC1 (0.47) | NPC1POLBRAB9ADYRK1ACYP17A1 | |
| SCHEMBL19506133 | 0.88 | NPC1 (0.64) | NPC1POLBRAB9ADYRK1ACYP17A1 | |
| SCHEMBL26834057 | 0.86 | NPC1 (0.47) | NPC1POLBRAB9ADYRK1ACYP17A1 | |
| SCHEMBL26423951 | 0.84 | NPC1 (0.40) | NPC1POLBRAB9ADYRK1ACYP17A1 | |
| SCHEMBL26834584 | 0.84 | NPC1 (0.57) | NPC1POLBRAB9ADYRK1ACYP17A1 | |
| SCHEMBL25736310 | 0.83 | ESR1 (0.59) | NPC1POLBRAB9ACYP17A1CYP19A1 | |
| SCHEMBL19269566 | 0.83 | ESR1 (0.59) | NPC1POLBRAB9ACYP17A1CYP19A1 | |
| SCHEMBL7905481 | 0.81 | NPC1 (0.84) | NPC1POLBRAB9ADYRK1AALDH1A1 | |
| SCHEMBL18941921 | 0.81 | NPC1 (0.84) | NPC1POLBRAB9ADYRK1ACYP17A1 | |
| SCHEMBL6005419 | 0.81 | NPC1 (0.59) | NPC1POLBRAB9ADYRK1ACYP17A1 |
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-2022025648-A1 | NOVEL COMPOUND FOR CAPPING LAYER AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 동진쎄미켐 | 2022-02-03 | — | — | WO | disclosed |