Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28540633 | 0.89 | ALDH1A1 (0.48) | ALDH1A1MAPTCYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28426597 | 0.87 | ALDH1A1 (0.48) | CCNB2CDK1CCNB1CCNB3ALDH1A1 | |
| SCHEMBL1435718 | 0.83 | ALDH1A1 (0.57) | CCNB2CDK1CCNB1CCNB3ALDH1A1 | |
| SCHEMBL28344370 | 0.79 | RECQL (0.48) | CCNB2CDK1CCNB1CCNB3ALDH1A1 | |
| SCHEMBL28549191 | 0.78 | MAPT (0.44) | ALDH1A1MAPTCYP2C19MAPK10LMNA | |
| SCHEMBL28282812 | 0.78 | MAPT (0.46) | ALDH1A1MAPTCYP2C19LMNAHSD17B10 | |
| SCHEMBL28549830 | 0.78 | ALDH1A1 (0.39) | CCNB2CDK1CCNB1CCNB3ALDH1A1 | |
| SCHEMBL28428637 | 0.78 | ALDH1A1 (0.49) | CCNB2CDK1CCNB1CCNB3ALDH1A1 | |
| SCHEMBL28428728 | 0.78 | ALDH1A1 (0.44) | CCNB2CDK1CCNB1CCNB3ALDH1A1 | |
| SCHEMBL28540631 | 0.78 | ALDH1A1 (0.44) | CCNB2CDK1CCNB1CCNB3ALDH1A1 |
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-110526855-B | Preparation method of 3-nitroso substituted indole derivative | 郑州大学 | 2020-11-27 | — | — | CN | disclosed |