Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.58 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | CASP3 | P42574 | 2/20 | 0.54 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.54 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.54 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | PDE4A | P27815 | 1/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.54 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.54 |
| ▸ | CTSL | P07711 | 1/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.51 |
| ▸ | WNT3A | P56704 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29579853 | 1.00 | GPR52 (0.58) | GPR52HSD11B1NPC1RAB9ACASP3 | |
| SCHEMBL29580879 | 0.90 | NPC1 (0.54) | GPR52HSD11B1NPC1RAB9ACASP3 | |
| SCHEMBL9788780 | 0.90 | NPC1 (0.54) | GPR52HSD11B1NPC1RAB9ACASP3 | |
| SCHEMBL656153 | 0.86 | GPR84 (0.55) | GPR52HSD11B1NPC1RAB9ACES2 | |
| SCHEMBL1515848 | 0.83 | CES2 (0.55) | GPR52NPC1RAB9ACES2CES1 | |
| SCHEMBL30572 | 0.82 | TDP1 (0.77) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL15524969 | 0.82 | TDP1 (0.77) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL28251466 | 0.82 | TDP1 (0.77) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL7874668 | 0.81 | GAA (0.58) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL2691520 | 0.81 | NR4A2 (0.62) | HSD11B1NPC1RAB9ACES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111499503-B | Method for synthesizing alpha-alkylated ketone in water | 南京理工大学 | 2022-04-08 | — | — | CN | disclosed |
| CN-106478325-B | A method of synthesis alpha-alkyl ketone | 南京理工大学 | 2019-06-25 | — | — | CN | disclosed |
| CN-106478325-A | A kind of method of synthesis alpha-alkyl ketone | 南京理工大学 | 2017-03-08 | — | — | CN | disclosed |