Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.32 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | TNF | P01375 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3519282 | 0.81 | PSMB1 (0.32) | PSMB1PSMB5PIM1 | |
| SCHEMBL23102477 | 0.76 | PDCD1 (0.34) | NPSR1PKMALDH1A1RECQL | |
| SCHEMBL1238531 | 0.75 | TNF (0.38) | TSHRTNF | |
| SCHEMBL20809182 | 0.72 | PSMB1 (0.41) | PSMB1PSMB5ALDH1A1TNF | |
| SCHEMBL1919918 | 0.72 | PSMB1 (0.53) | PSMB1PSMB5GSK3BHDAC3HDAC1 | |
| SCHEMBL1238094 | 0.68 | CYP1A1 (0.38) | PARP1ADORA2BTNF | |
| SCHEMBL13046538 | 0.67 | TNF (0.56) | PSMB1PSMB5ALDH1A1LMNATNF | |
| SCHEMBL24184679 | 0.67 | LMNA (0.34) | ALDH1A1LMNAADORA2BTNF | |
| SCHEMBL21595152 | 0.66 | HDAC3 (0.39) | PARP1ALDH1A1TSHRLMNAADORA2B | |
| SCHEMBL3670650 | 0.66 | L3MBTL1 (0.36) | GSK3B |
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 |