Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.55 |
| ▸ | NCF1 | P14598 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30976616 | 0.83 | BACE1 (0.50) | BACE1NCF1MAOBKDM4ENPC1 | |
| SCHEMBL27834890 | 0.82 | BACE1 (0.58) | BACE1NCF1KDM4ENPC1GAA | |
| SCHEMBL28405112 | 0.79 | DYRK1A (0.52) | BACE1KDM4ENPC1RAB9AABL1 | |
| SCHEMBL8273780 | 0.78 | CYP1A2 (0.61) | BACE1NCF1KDM4ENPC1RAB9A | |
| SCHEMBL30471870 | 0.78 | CYP1A2 (0.61) | BACE1NCF1KDM4ENPC1RAB9A | |
| SCHEMBL11108005 | 0.76 | NCF1 (0.53) | BACE1NCF1MAOBNPC1RAB9A | |
| SCHEMBL1544058 | 0.76 | BACE1 (0.55) | BACE1NCF1KDM4ENPC1RAB9A | |
| SCHEMBL28070145 | 0.76 | BACE1 (0.59) | BACE1NCF1KDM4EMCHR1MAPT | |
| SCHEMBL384813 | 0.75 | CYP1A2 (0.63) | BACE1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28091587 | 0.75 | NCF1 (0.61) | NCF1MAOBAPPCYP1A2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-105949120-A | Four-tooth chelating single quinoline derivative, preparation method thereof and application as metal ion regulator for neurodegenerative disease | 广东工业大学 | 2016-09-21 | — | — | CN | disclosed |