Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | C1R | P00736 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | TOP2A | P11388 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23102583 | 0.84 | USP2 (0.35) | TP53SIRT2SIRT1MAPTKMT2A | |
| SCHEMBL23102416 | 0.82 | TP53 (0.31) | TP53MAPTTOP2AS1PR1 | |
| SCHEMBL23108686 | 0.79 | TOP2A (0.37) | TP53MAPTUSP2TOP2AALDH1A1 | |
| SCHEMBL23102479 | 0.78 | PIK3R1 (0.36) | TP53MAPTUSP2TOP2AALDH1A1 | |
| SCHEMBL23108309 | 0.78 | TNF (0.39) | TP53MAPTKMT2AUSP2TOP2A | |
| SCHEMBL23102593 | 0.77 | SMN1; SMN2 (0.41) | TP53MAPTUSP2TOP2AALDH1A1 | |
| SCHEMBL23102408 | 0.76 | DUT (0.41) | USP2 | |
| SCHEMBL23102409 | 0.76 | C1R (0.40) | TP53SIRT1MAPTC1RKMT2A | |
| SCHEMBL23102594 | 0.75 | TP53 (0.33) | TP53MAPTUSP2TOP2AALDH1A1 | |
| SCHEMBL23108300 | 0.75 | TNF (0.41) | TP53KMT2AUSP2ALDH1A1HPGD |
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 |