Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11072484 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL25764700 | 0.82 | ALDH1A1 (0.53) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL7215664 | 0.80 | ALDH1A1 (0.67) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL23791803 | 0.79 | ALDH1A1 (0.65) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL27241759 | 0.79 | ALDH1A1 (0.65) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL29904582 | 0.79 | ALDH1A1 (0.65) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL27241739 | 0.79 | ALDH1A1 (0.65) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL3514735 | 0.79 | ALDH1A1 (1.00) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL14159470 | 0.76 | ALDH1A1 (0.56) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 | |
| SCHEMBL27241754 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TDP1NPSR1KDM4EL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115710219-B | Method for preparing meta-cyano-substituted pyridine compound | 南开大学 | 2024-12-03 | — | — | CN | disclosed |
| CN-115710219-A | Method for preparing meta cyano-substituted pyridine compound | 南开大学 | 2023-02-24 | — | — | CN | disclosed |
| WO-2003084931-A1 | 5H-BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2003-10-16 | — | — | WO | disclosed |
| WO-2003084931-A1 | 5H-BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2003-10-16 | — | — | WO | disclosed |