Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.44 |
| ▸ | JUN | P05412 | 1/20 | 0.44 |
| ▸ | CCNC | P24863 | 2/20 | 0.43 |
| ▸ | CDK8 | P49336 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.40 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
| ▸ | TFEB | P19484 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15941356 | 1.00 | PTPN1 (0.45) | PTPN1NFKB1NFE2L2JUNCCNC | |
| SCHEMBL2328371 | 0.87 | NFKB1 (0.50) | PTPN1NFKB1NFE2L2JUNCCNC | |
| SCHEMBL181650 | 0.85 | NFE2L2 (0.61) | NFKB1NFE2L2JUNCA1CA2 | |
| SCHEMBL1000978 | 0.83 | NFKB1 (0.62) | NFKB1NFE2L2JUNCA1CA2 | |
| SCHEMBL613719 | 0.83 | NFKB1 (0.62) | NFKB1NFE2L2JUNCA1CA2 | |
| SCHEMBL613718 | 0.83 | NFKB1 (0.62) | NFKB1NFE2L2JUNCA1CA2 | |
| SCHEMBL30686188 | 0.83 | NFKB1 (0.62) | NFKB1NFE2L2JUNCA1CA2 | |
| SCHEMBL5595089 | 0.82 | IAPP (0.47) | PTPN1NFKB1NFE2L2JUNCCNC | |
| SCHEMBL31310317 | 0.82 | MAPT (0.63) | NFKB1NFE2L2JUNCA1CA2 | |
| Hydrochloric Acid SCHEMBL28511355 | 0.82 | NFKB1 (0.60) | NFKB1NFE2L2JUNCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110498761-B | Application of acetyl amantadine piperazine (pyridine) compound as cerebral nerve protective agent | 上海医药工业研究院 | 2022-09-13 | — | — | CN | claimed |
| CN-110498761-B | Application of acetyl amantadine piperazine (pyridine) compound as cerebral nerve protective agent | 上海医药工业研究院 | 2022-09-13 | — | — | CN | disclosed |