Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JUN | P05412 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| 4-Formylpyridine SCHEMBL28111845 | 0.81 | ALDH1A1 (0.43) | JUNNFKB1TDP1ALDH1A1ALDH3A1 | |
| 4-Formylpyridine SCHEMBL28473 | 0.80 | — | — | |
| 4-Formylpyridine SCHEMBL462293 | 0.80 | — | — | |
| Nicotinaldehyde SCHEMBL28111362 | 0.78 | MAPT (0.50) | JUNNFKB1TDP1ALDH1A1MAPT | |
| 4-Formylpyridine SCHEMBL28425267 | 0.78 | — | — | |
| 4-Formylpyridine SCHEMBL6362259 | 0.78 | — | — | |
| 4-Formylpyridine SCHEMBL6715614 | 0.78 | — | — | |
| 4-Formylpyridine SCHEMBL29954274 | 0.78 | — | — | |
| 4-Formylpyridine SCHEMBL27750218 | 0.78 | ALDH1A1 (0.48) | JUNNFKB1ALDH1A1MAPTKDM4E | |
| 4-Formylpyridine SCHEMBL1530881 | 0.78 | — | — |
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-103588769-B | The synthesis of pyrazoline-thiazolinone analog derivative that one class is novel and the application in cancer therapy drug | NANJING UNIVERSITY (CN) | 2016-11-30 | — | — | CN | disclosed |