Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C1R | P00736 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | KLK3 | P07288 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 4/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | TOP2A | P11388 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 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 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL23102595 | 0.78 | NPC1 (0.37) | KMT2AMAPTTOP2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL23102420 | 0.76 | TP53 (0.35) | C1RKMT2AMAPTTP53ELANE | |
| SCHEMBL15229119 | 0.73 | PIM1 (0.44) | C1RTOP2AF2PLGKLK1 | |
| SCHEMBL23102443 | 0.72 | KDM4E (0.43) | KMT2AMAPTPARP1ALDH1A1HPGD | |
| SCHEMBL23102399 | 0.72 | PARP1 (0.37) | MAPTPARP1TP53ALDH1A1LMNA | |
| SCHEMBL23102583 | 0.71 | USP2 (0.35) | KMT2AMAPTTP53TOP2ASMN1; SMN2 | |
| SCHEMBL10852717 | 0.71 | MAPT (0.52) | C1RKMT2AMAPTTP53ELANE | |
| SCHEMBL23102416 | 0.69 | TP53 (0.31) | MAPTTP53TOP2AS1PR1 | |
| SCHEMBL15228745 | 0.69 | PIM1 (0.62) | KMT2AMAPTTOP2AKDM4ERAB9A | |
| SCHEMBL15228794 | 0.69 | PIM1 (0.58) | C1RELANETOP2AF2PLG |
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-2021047555-A1 | PREPARATION OF AROMATIC HETEROCYCLIC DERIVATIVE AS IMMUNOMODULATOR AND APPLICATION THEREOF | 上海长森药业有限公司 | 2021-03-18 | — | — | WO | disclosed |
| 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 |