Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | WDR5 | P61964 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1435718 | 0.87 | ALDH1A1 (0.57) | ALDH1A1MAPTATMLMNACYP2C19 | |
| SCHEMBL28344370 | 0.86 | RECQL (0.48) | ALDH1A1MAPTTDP1ATMLMNA | |
| SCHEMBL28540690 | 0.85 | KIF11 (0.50) | ALDH1A1MAPTATMLMNACYP2C19 | |
| SCHEMBL28428728 | 0.85 | ALDH1A1 (0.44) | ALDH1A1MAPTATMLMNAGAA | |
| SCHEMBL28540631 | 0.85 | ALDH1A1 (0.44) | ALDH1A1MAPTATMLMNACYP2C19 | |
| SCHEMBL28426597 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MAPTATMLMNAGAA | |
| SCHEMBL28553092 | 0.82 | L3MBTL1 (0.55) | ALDH1A1MAPTMGAMGAASI | |
| SCHEMBL28551592 | 0.82 | MEN1 (0.46) | ALDH1A1MAPTATMLMNAGAA | |
| SCHEMBL28549830 | 0.79 | ALDH1A1 (0.39) | ALDH1A1MAPTLMNAGAACYP2C19 | |
| SCHEMBL28539176 | 0.78 | CCNB2 (0.42) | ALDH1A1MAPTATMLMNACYP2C19 |
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-110526855-B | Preparation method of 3-nitroso substituted indole derivative | 郑州大学 | 2020-11-27 | — | — | CN | disclosed |
| CN-109535061-B | 3-nitrosoindole derivative and preparation method thereof | 苏州大学 | 2020-07-14 | — | — | CN | disclosed |