Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ILK | Q13418 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31354064 | 1.00 | KDM4E (0.41) | KDM4ETP53NPC1RAB9AALDH1A1 | |
| SCHEMBL26833313 | 0.77 | RAB9A (0.45) | KDM4ENPC1RAB9AALDH1A1MAPT | |
| SCHEMBL220087 | 0.77 | NPC1 (0.69) | KDM4ENPC1RAB9AALDH1A1MAPT | |
| SCHEMBL11645498 | 0.75 | NPC1 (0.47) | KDM4ENPC1RAB9AALDH1A1MAPT | |
| SCHEMBL23102431 | 0.73 | KDM4E (0.35) | KDM4ETP53NPC1RAB9AALDH1A1 | |
| SCHEMBL20539398 | 0.71 | KDM4E (0.41) | KDM4ETP53NPC1RAB9AALDH1A1 | |
| SCHEMBL15164320 | 0.70 | RAB9A (0.51) | KDM4ENPC1RAB9AALDH1A1MAPT | |
| SCHEMBL28566773 | 0.70 | NPC1 (0.41) | KDM4ETP53NPC1RAB9AALDH1A1 | |
| SCHEMBL19783324 | 0.69 | HRH3 (0.41) | KDM4ENPC1RAB9ADYRK1A | |
| SCHEMBL24660285 | 0.69 | LMNA (0.39) | KDM4ETP53NPC1RAB9AALDH1A1 |
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-2021047556-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME AND USE THEREOF | 上海长森药业有限公司 | 2021-03-18 | — | — | WO | disclosed |