Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.41 |
| ▸ | CTSG | P08311 | 4/20 | 0.40 |
| ▸ | CMA1 | P23946 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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) | PKMCTSGCMA1ALDH1A1KDM4E | |
| SCHEMBL28409019 | 0.87 | PKM (0.47) | PKMCTSGCMA1ALDH1A1KDM4E | |
| SCHEMBL28412067 | 0.87 | PKM (0.41) | PKMCTSGCMA1ALDH1A1KDM4E | |
| SCHEMBL28411904 | 0.83 | PKM (0.41) | PKMCTSGCMA1ALDH1A1KDM4E | |
| SCHEMBL28414750 | 0.80 | PKM (0.44) | PKMCTSGCMA1ALDH1A1MAPT | |
| SCHEMBL28421420 | 0.78 | NPC1 (0.41) | PKMCTSGCMA1ALDH1A1KDM4E | |
| SCHEMBL28414933 | 0.76 | PKM (0.41) | PKMCTSGCMA1ALDH1A1KDM4E | |
| SCHEMBL29382870 | 0.75 | PKM (0.49) | PKMALDH1A1KDM4EMAPTTDP1 | |
| SCHEMBL28595292 | 0.75 | PKM (0.49) | PKMALDH1A1KDM4EMAPTTDP1 | |
| SCHEMBL28586244 | 0.75 | PKM (0.49) | PKMALDH1A1KDM4EMAPTTDP1 |
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 |