Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 13/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.51 |
| ▸ | HPGD | P15428 | 13/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | UPP1 | Q16831 | 2/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19717347 | 0.84 | ALDH1A1 (0.56) | KDM4EALDH1A1HPGDKMT2AGAA | |
| SCHEMBL19717098 | 0.79 | ALDH1A1 (0.51) | KDM4EALDH1A1HPGDKMT2AGAA | |
| SCHEMBL26354493 | 0.71 | UPP1 (0.51) | KDM4EALDH1A1HPGDKMT2AGAA | |
| SCHEMBL11051571 | 0.69 | UPP1 (0.56) | KDM4EALDH1A1HPGDKMT2AMAPT | |
| SCHEMBL3794931 | 0.68 | KDM4E (0.64) | KDM4EALDH1A1HPGDKMT2AMAPT | |
| SCHEMBL10985071 | 0.68 | PDE9A (0.41) | KDM4EALDH1A1HPGDKMT2AGAA | |
| SCHEMBL11121714 | 0.66 | UPP1 (0.69) | KDM4EALDH1A1HPGDKMT2AGAA | |
| SCHEMBL6543058 | 0.65 | UPP1 (0.51) | KDM4EALDH1A1HPGDKMT2AGAA | |
| SCHEMBL11017699 | 0.65 | ALDH1A1 (0.47) | KDM4EALDH1A1HPGDKMT2AGAA | |
| SCHEMBL22839898 | 0.64 | MAPT (0.38) | KDM4EALDH1A1HPGDKMT2AGAA |
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-113292489-B | Preparation method of dichlorodialkyl nicotinonitrile | 泓博智源(开原)药业有限公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-113292489-A | Preparation method of dichlorodialkyl nicotinonitrile | 泓博智源(开原)药业有限公司 | 2021-08-24 | — | — | CN | disclosed |