Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ICMT | O60725 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28602072 | 0.90 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1LMNATDP1HTT | |
| SCHEMBL28597798 | 0.90 | ALDH1A1 (0.42) | SMN1; SMN2ALDH1A1LMNATDP1HTT | |
| SCHEMBL28592171 | 0.89 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1LMNATDP1HTT | |
| SCHEMBL28596788 | 0.89 | ALDH1A1 (0.55) | SMN1; SMN2ALDH1A1LMNATDP1HTT | |
| SCHEMBL28604700 | 0.87 | BCHE (0.45) | SMN1; SMN2ALDH1A1LMNAHTTKMT2A | |
| SCHEMBL28606235 | 0.85 | ALDH1A1 (0.42) | SMN1; SMN2ALDH1A1LMNATDP1HTT | |
| SCHEMBL28918961 | 0.83 | MEN1 (0.35) | SMN1; SMN2ALDH1A1LMNATDP1HTT | |
| SCHEMBL28606240 | 0.82 | GAA (0.35) | SMN1; SMN2ALDH1A1LMNATDP1HTT | |
| SCHEMBL28597803 | 0.81 | XDH (0.43) | ALDH1A1KMT2AICMT | |
| SCHEMBL28604692 | 0.80 | MEN1 (0.55) | SMN1; SMN2ALDH1A1TDP1HTTKMT2A |
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-113173917-B | 1-alkyl-5-tetrazolyl/pyrimidone-1H-indole-3-carbonitrile compound and preparation method and application thereof | 沈阳药科大学 | 2022-04-08 | — | — | CN | disclosed |
| CN-113173917-A | 1-alkyl-5-tetrazolyl/pyrimidone-1H-indole-3-carbonitrile compound and preparation method and application thereof | 沈阳药科大学 | 2021-07-27 | — | — | CN | disclosed |