Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.49 |
| ▸ | RELA | Q04206 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ERN1 | O75460 | 3/20 | 0.48 |
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.47 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CDK4 | P11802 | 1/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | CCND1 | P24385 | 1/20 | 0.46 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29901123 | 1.00 | NPC1 (0.49) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL3610064 | 0.94 | NPC1 (0.49) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL3612372 | 0.87 | NPC1 (0.49) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL20873402 | 0.85 | ERN1 (0.47) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL6703657 | 0.84 | ERN1 (0.51) | NPC1RAB9ASMN1; SMN2ERN1CCNB2 | |
| SCHEMBL3613443 | 0.83 | ERN1 (0.48) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL29901107 | 0.83 | ERN1 (0.56) | NPC1RAB9ASMN1; SMN2ERN1MRGPRX4 | |
| SCHEMBL5646555 | 0.83 | SMN1; SMN2 (0.49) | NPC1RAB9ASMN1; SMN2ERN1CCNB2 | |
| SCHEMBL11840923 | 0.82 | CCNB2 (0.50) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL28855366 | 0.82 | ERN1 (0.59) | NPC1RAB9ASMN1; SMN2ERN1MRGPRX4 |
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-115151538-A | Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2022-10-04 | — | — | CN | disclosed |