Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.60 |
| ▸ | NPC1 | O15118 | 6/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | MITF | O75030 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.60 |
| ▸ | RELA | Q04206 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 9/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | ITGAL | P20701 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | MGLL | Q99685 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL24729540 | 0.85 | RAB9A (0.67) | SMN1; SMN2NPC1RAB9ATP53MITF | |
| SCHEMBL29947503 | 0.85 | RAB9A (0.67) | SMN1; SMN2NPC1RAB9ATP53MITF | |
| SCHEMBL29947579 | 0.84 | SMN1; SMN2 (0.65) | SMN1; SMN2NPC1RAB9ATP53MITF | |
| SCHEMBL24729359 | 0.82 | ALDH1A1 (0.74) | SMN1; SMN2NPC1RAB9ATP53MITF | |
| SCHEMBL29947610 | 0.82 | ALDH1A1 (0.74) | SMN1; SMN2NPC1RAB9ATP53MITF | |
| SCHEMBL20632452 | 0.80 | NPC1 (0.73) | SMN1; SMN2NPC1RAB9ATP53MITF | |
| SCHEMBL20644407 | 0.79 | RAB9A (0.64) | SMN1; SMN2NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL26962626 | 0.78 | RAB9A (0.67) | SMN1; SMN2NPC1RAB9ATP53MITF | |
| SCHEMBL24729215 | 0.78 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9ATP53MITF | |
| SCHEMBL29947594 | 0.78 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9ATP53MITF |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022240213-A1 | NOVEL BENZOTHIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FOR PREVENTION OR TREATMENT OF LIVER DISEASE | 에이치케이이노엔 주식회사 | 2022-11-17 | — | — | WO | claimed |
| WO-2022240213-A1 | NOVEL BENZOTHIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FOR PREVENTION OR TREATMENT OF LIVER DISEASE | 에이치케이이노엔 주식회사 | 2022-11-17 | — | — | WO | disclosed |