Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29190219 | 0.81 | HPGDS (0.59) | HPGDSRAB9ACES2CES1DAO | |
| SCHEMBL2474971 | 0.80 | HPGDS (0.58) | HPGDSRAB9ACES2CES1DAO | |
| SCHEMBL2509540 | 0.80 | HPGDS (0.58) | HPGDSRAB9ACES2CES1DAO | |
| SCHEMBL14947051 | 0.77 | CES2 (0.75) | HPGDSRAB9ACES2CES1DAO | |
| SCHEMBL158020 | 0.71 | HPGDS (1.00) | HPGDSRAB9ACES2CES1DAO | |
| SCHEMBL12629315 | 0.71 | RAB9A (0.75) | HPGDSRAB9AKMT2ANPC1HPGD | |
| Hydrochloric Acid SCHEMBL8687522 | 0.70 | CES2 (0.52) | HPGDSRAB9ACES2CES1DAO | |
| SCHEMBL10982372 | 0.70 | DAO (0.55) | HPGDSRAB9ACES2CES1DAO | |
| Water SCHEMBL28007578 | 0.70 | HPGDS (0.96) | HPGDSRAB9ACES2CES1DAO | |
| SCHEMBL13843775 | 0.69 | — | — |
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-109096138-B | Method for synthesizing alpha-aminoketone derivative | 郑州轻工业学院 | 2020-12-18 | — | — | CN | disclosed |