Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | CASP3 | P42574 | 2/20 | 0.53 |
| ▸ | ADK | P55263 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29713565 | 1.00 | MAPT (0.53) | MAPTCASP3ADKALDH1A1KDM4E | |
| SCHEMBL28708222 | 0.97 | MAPT (0.50) | MAPTCASP3ADKALDH1A1KDM4E | |
| SCHEMBL28713379 | 0.88 | RAD51 (0.44) | MAPTCASP3ALDH1A1KDM4ENPC1 | |
| SCHEMBL29713558 | 0.88 | RAD51 (0.44) | MAPTCASP3ALDH1A1KDM4ENPC1 | |
| SCHEMBL28715248 | 0.87 | CYP2A6 (0.48) | MAPTCASP3ALDH1A1KMT2AMAOA | |
| SCHEMBL29713561 | 0.87 | CYP2A6 (0.48) | MAPTCASP3ALDH1A1KMT2AMAOA | |
| SCHEMBL28718743 | 0.86 | RAD51 (0.48) | MAPTCASP3ALDH1A1KDM4ENPC1 | |
| SCHEMBL28715345 | 0.85 | CASP3 (0.52) | MAPTCASP3ALDH1A1KDM4ENPC1 | |
| SCHEMBL28713391 | 0.85 | PSD (0.46) | MAPTCASP3KDM4ENPC1RAB9A | |
| SCHEMBL28715265 | 0.85 | APP (0.42) | MAPTCASP3ADKRAD51 |
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-113480533-B | Preparation method of 3, 4-pyridine diimides derivatives | 赣南师范大学 | 2022-08-02 | — | — | CN | disclosed |
| CN-113480533-A | Preparation method of 3, 4-pyridine diimides derivatives | 赣南师范大学 | 2021-10-08 | — | — | CN | disclosed |