Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.34 |
| ▸ | BCL2 | P10415 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.31 |
| ▸ | CFTR | P13569 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 1/20 | 0.31 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.31 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL28731131 | 0.74 | NOTUM (0.37) | BRD4ALDH1A1TSHRNOTUMMEN1 | |
| SCHEMBL7214549 | 0.72 | NOTUM (0.38) | BRD4ALDH1A1TSHRNOTUMMEN1 | |
| SCHEMBL28924221 | 0.70 | NOTUM (0.37) | BRD4ALDH1A1NOTUMMEN1KMT2A | |
| SCHEMBL7220138 | 0.64 | NOTUM (0.43) | BRD4ALDH1A1TSHRNOTUMMEN1 | |
| SCHEMBL7214657 | 0.63 | NOTUM (0.45) | BRD4ALDH1A1NOTUMMEN1KMT2A | |
| SCHEMBL10246760 | 0.62 | NOTUM (0.64) | BRD4NOTUMHSD17B3 | |
| SCHEMBL21172863 | 0.61 | HSD17B3 (0.50) | ALDH1A1NOTUMMEN1KMT2AHSD17B3 | |
| SCHEMBL28360666 | 0.60 | NOTUM (0.57) | BRD4ALDH1A1NOTUMHSD17B3SETDB1 | |
| SCHEMBL30805912 | 0.60 | USP30 (0.39) | ALDH1A1TSHR | |
| SCHEMBL397314 | 0.60 | NOTUM (0.69) | ALDH1A1NOTUMTP53HSD17B3IDO1 |
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-109824573-B | Method for synthesizing cyanoalkylindoline by N-allylaniline cyanoalkylation | 昆明学院 | 2022-05-10 | — | — | CN | claimed |
| CN-109824573-B | Method for synthesizing cyanoalkylindoline by N-allylaniline cyanoalkylation | 昆明学院 | 2022-05-10 | — | — | CN | disclosed |