Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19313202 | 0.82 | SMN1; SMN2 (0.37) | NPC1RAB9APKMKCNN4KCNA3 | |
| SCHEMBL26698297 | 0.81 | NPC1 (0.36) | NPC1RAB9APKMKCNN4KCNA3 | |
| SCHEMBL24994576 | 0.78 | HSD17B3 (0.43) | NPC1RAB9APKMKMT2ASMN1; SMN2 | |
| SCHEMBL21308092 | 0.78 | SMN1; SMN2 (0.35) | NPC1RAB9APKMKCNN4KCNA3 | |
| SCHEMBL20863875 | 0.78 | KMT2A (0.35) | NPC1RAB9APKMKCNN4KCNA3 | |
| SCHEMBL24865833 | 0.77 | NPC1 (0.37) | NPC1RAB9APKMKCNN4KCNA3 | |
| SCHEMBL23569668 | 0.76 | NPC1 (0.33) | NPC1RAB9APKMKMT2ASMN1; SMN2 | |
| SCHEMBL24809281 | 0.76 | NPC1 (0.33) | NPC1RAB9APKMKMT2ASMN1; SMN2 | |
| SCHEMBL7262688 | 0.75 | KMT2A (0.42) | NPC1RAB9APKMKMT2ASMN1; SMN2 | |
| SCHEMBL21066068 | 0.75 | MAPT (0.35) | NPC1RAB9APKMKMT2ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2019142614-A1 | CONTAINER AND USE THEREOF | 国立研究開発法人産業技術総合研究所 | 2019-07-25 | — | — | WO | disclosed |