Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.38 |
| ▸ | MEN1 | O00255 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28414750 | 0.85 | PKM (0.44) | PKMMAPTKMT2AMEN1ALDH1A1 | |
| SCHEMBL28409019 | 0.83 | PKM (0.47) | PKMMAPTHTTKMT2AMEN1 | |
| SCHEMBL28414933 | 0.79 | PKM (0.41) | PKMMAPTHTTKMT2AMEN1 | |
| SCHEMBL28412067 | 0.76 | PKM (0.41) | PKMMAPTHTTKMT2AMEN1 | |
| SCHEMBL28411904 | 0.76 | PKM (0.41) | PKMMAPTHTTKMT2AMEN1 | |
| SCHEMBL28589487 | 0.76 | PKM (0.53) | PKMMAPTHTTKMT2AMEN1 | |
| SCHEMBL28410774 | 0.75 | PKM (0.44) | PKMMAPTHTTKMT2AMEN1 | |
| SCHEMBL28589943 | 0.73 | PKM (0.44) | PKMHTTKMT2AMEN1LMNA | |
| SCHEMBL28584713 | 0.73 | HPGD (0.46) | PKMMAPTHTTKMT2AMEN1 | |
| SCHEMBL28421420 | 0.73 | NPC1 (0.41) | PKMMAPTHTTKMT2AMEN1 |
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 |