Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL29291334 | 0.80 | LMNA (0.49) | ALDH1A1SMN1; SMN2HPGDCYP3A4CES2 | |
| SCHEMBL29291315 | 0.77 | CES2 (0.50) | ALDH1A1RAB9ANPC1POLBSMN1; SMN2 | |
| SCHEMBL29291328 | 0.75 | LMNA (0.52) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL29291326 | 0.75 | NPC1 (0.51) | ALDH1A1NPC1POLBSMN1; SMN2CYP2C9 | |
| SCHEMBL29291323 | 0.75 | CES2 (0.49) | RAB9ANPC1SMN1; SMN2CYP2C9TSHR | |
| SCHEMBL28406515 | 0.75 | DAO (0.52) | ALDH1A1RAB9ANPC1POLBCYP2C9 | |
| SCHEMBL29291330 | 0.74 | GPR139 (0.44) | ALDH1A1RAB9ANPC1POLBHPGD | |
| SCHEMBL29291324 | 0.74 | ALDH1A1 (0.55) | ALDH1A1RAB9ANPC1POLBSMN1; SMN2 | |
| SCHEMBL29291333 | 0.74 | LMNA (0.50) | ALDH1A1RAB9ANPC1SMN1; SMN2CYP2C9 | |
| SCHEMBL19707240 | 0.73 | CES2 (0.66) | ALDH1A1RAB9ANPC1POLBCYP2C9 |
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-109761842-B | Synthesis method of alpha-F-beta-NHAc-carbonyl compound | 浙江工业大学 | 2021-11-30 | — | — | CN | disclosed |