Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 4/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12773357 | 0.90 | BACE1 (0.44) | BACE1KMT2ACYP1A2CHRNB2CHRNA4 | |
| SCHEMBL22490451 | 0.90 | BACE1 (0.44) | BACE1KMT2ACYP1A2CHRNB2CHRNA4 | |
| SCHEMBL16555248 | 0.88 | BACE1 (0.36) | BACE1KMT2ACYP1A2CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL29510787 | 0.88 | BACE1 (0.43) | BACE1KMT2ACYP1A2CHRNB2CHRNA4 | |
| SCHEMBL24112563 | 0.86 | BACE1 (0.43) | BACE1KMT2ACYP1A2CHRNB2CHRNA4 | |
| SCHEMBL19318720 | 0.86 | BACE1 (0.43) | BACE1KMT2ACYP1A2CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL30759300 | 0.85 | BACE1 (0.42) | BACE1KMT2ACYP1A2CHRNB2CHRNA4 | |
| SCHEMBL25922433 | 0.85 | BACE1 (0.42) | BACE1KMT2ACYP1A2CHRNB2CHRNA4 | |
| SCHEMBL23824307 | 0.85 | BACE1 (0.42) | BACE1KMT2ACYP1A2CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL31656498 | 0.83 | BACE1 (0.41) | BACE1KMT2ACYP1A2KDM4ECTSC |
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-117425654-A | 2, 8-diazaspiro [4.5] decane compounds | 基因泰克公司 | 2024-01-19 | — | — | CN | disclosed |