Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28275829 | 0.80 | ACHE (0.40) | ALDH1A1LMNASMN1; SMN2TDP1ACHE | |
| SCHEMBL27754462 | 0.78 | LMNA (0.49) | ALDH1A1LMNASMN1; SMN2CES2CES1 | |
| SCHEMBL28182149 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TDP1ATMHPGDGAA | |
| SCHEMBL28070689 | 0.75 | LMNA (0.50) | ALDH1A1LMNASMN1; SMN2CES2CES1 | |
| SCHEMBL28181391 | 0.72 | CES2 (0.59) | CES2CES1CNR2 | |
| SCHEMBL27774472 | 0.71 | ALOX5 (0.48) | ALDH1A1LMNASMN1; SMN2ACHEALOX5 | |
| SCHEMBL66875 | 0.71 | CES2 (0.58) | ALDH1A1LMNASMN1; SMN2TDP1CES2 | |
| SCHEMBL15372276 | 0.71 | KEAP1 (0.45) | ALDH1A1LMNASMN1; SMN2ACHEALOX5 | |
| SCHEMBL28181394 | 0.71 | CYP2A6 (0.39) | ALDH1A1LMNASMN1; SMN2TDP1ACHE | |
| SCHEMBL11436603 | 0.71 | CYP2D6 (0.74) | LMNASMN1; SMN2CES2CES1PKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107383028-B | The miscellaneous thiocarbamoyl imidazole compound of 1,2,3,4- tetrahydro-beta-carboline-N- and preparation and application | 浙江大学 | 2019-03-08 | — | — | CN | disclosed |
| CN-107383028-A | The miscellaneous thiocarbamoyl imidazole compounds of 1,2,3,4 tetrahydro-beta-carboline N and preparation and application | 浙江大学 | 2017-11-24 | — | — | CN | disclosed |