Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.32 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23102434 | 0.73 | KDM4E (0.41) | KDM4ETP53MAPTALDH1A1NPC1 | |
| SCHEMBL31354064 | 0.73 | KDM4E (0.41) | KDM4ETP53MAPTALDH1A1NPC1 | |
| SCHEMBL23102399 | 0.73 | PARP1 (0.37) | KDM4EPDCD1CD274TP53MAPT | |
| SCHEMBL23102415 | 0.69 | PDCD1 (0.37) | KDM4EPDCD1CD274TP53MAPT | |
| SCHEMBL20477485 | 0.69 | MAPT (0.44) | KDM4EMAPTAPPALDH1A1NPC1 | |
| SCHEMBL23624312 | 0.67 | KDM4E (0.35) | KDM4EPDCD1CD274TP53MAPT | |
| SCHEMBL24660285 | 0.65 | LMNA (0.39) | KDM4EPDCD1CD274TP53MAPT | |
| SCHEMBL20539398 | 0.64 | KDM4E (0.41) | KDM4ETP53MAPTAPPALDH1A1 | |
| SCHEMBL20539648 | 0.64 | HSD17B13 (0.42) | PDCD1CD274S1PR1 | |
| SCHEMBL27989971 | 0.64 | — | — |
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 |