Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.61 |
| ▸ | RAB9A | P51151 | 10/20 | 0.61 |
| ▸ | MEN1 | O00255 | 7/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.61 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.61 |
| ▸ | RELA | Q04206 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.53 |
| ▸ | SCD | O00767 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL26606501 | 0.88 | NPC1 (0.56) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL30576821 | 0.88 | NPC1 (0.56) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL29263341 | 0.83 | NPC1 (0.57) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL29263354 | 0.83 | NPC1 (0.62) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL29263330 | 0.80 | ADORA2A (0.58) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL29263334 | 0.80 | NPC1 (0.58) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL29263345 | 0.80 | NPC1 (0.59) | NPC1RAB9AMEN1KMT2ANFKB1 | |
| SCHEMBL29263337 | 0.80 | NPC1 (0.55) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL29263366 | 0.80 | NPC1 (0.69) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL29263362 | 0.78 | KDM4E (0.54) | NPC1RAB9AMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116829542-A | Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient | 韩国化学研究院 | 2023-09-29 | — | — | CN | disclosed |