Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | CTSG | P08311 | 1/20 | 0.46 |
| ▸ | CMA1 | P23946 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28410774 | 0.91 | PKM (0.44) | PKMCTSGCMA1NPC1RAB9A | |
| SCHEMBL28414750 | 0.91 | PKM (0.44) | PKMCTSGCMA1NPC1RAB9A | |
| SCHEMBL28421420 | 0.91 | NPC1 (0.41) | PKMCTSGCMA1NPC1RAB9A | |
| SCHEMBL28411904 | 0.87 | PKM (0.41) | PKMCTSGCMA1NPC1RAB9A | |
| SCHEMBL28412067 | 0.87 | PKM (0.41) | PKMCTSGCMA1NPC1RAB9A | |
| SCHEMBL28409049 | 0.87 | PKM (0.41) | PKMCTSGCMA1NPC1RAB9A | |
| SCHEMBL28414933 | 0.85 | PKM (0.41) | PKMCTSGCMA1NPC1RAB9A | |
| SCHEMBL28891455 | 0.83 | PKM (0.43) | PKMMAPTPTGS1PTGS2KMT2A | |
| SCHEMBL28584713 | 0.80 | HPGD (0.46) | PKMCTSGCMA1MAPTKMT2A | |
| SCHEMBL28589487 | 0.75 | PKM (0.53) | PKMMAPTKMT2AMEN1HPGD |
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-107652231-B | Preparation method of 1, 2-dihydroisoquinoline-3 (4H) -imine derivative | 上海应用技术大学 | 2020-05-15 | — | — | CN | disclosed |