Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.74 |
| ▸ | SERPINE1 | P05121 | 4/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | TP53 | P04637 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.55 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.55 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL30694320 | 1.00 | MAPT (0.74) | MAPTSERPINE1ALDH1A1LMNATP53 | |
| SCHEMBL11571840 | 0.92 | MAPT (0.86) | MAPTSERPINE1ALDH1A1LMNATP53 | |
| SCHEMBL10413044 | 0.84 | RAB9A (0.67) | MAPTSERPINE1ALDH1A1LMNATP53 | |
| SCHEMBL31482309 | 0.83 | POLB (0.71) | MAPTALDH1A1TP53 | |
| SCHEMBL19860936 | 0.83 | CCR9 (0.54) | MAPTSERPINE1ALDH1A1LMNATP53 | |
| SCHEMBL420616 | 0.82 | SERPINE1 (1.00) | MAPTSERPINE1ALDH1A1LMNATP53 | |
| SCHEMBL6351321 | 0.82 | SERPINE1 (0.89) | MAPTSERPINE1KCNMA1AKR1C4AKR1C3 | |
| SCHEMBL15906641 | 0.82 | CCR9 (0.64) | MAPTALDH1A1LMNAGAAKCNMA1 | |
| SCHEMBL27611956 | 0.80 | MAPT (0.72) | MAPTSERPINE1ALDH1A1LMNATP53 | |
| SCHEMBL31384417 | 0.80 | MAPT (0.67) | MAPTSERPINE1ALDH1A1LMNATP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117285401-A | Synthesis method of chiral N- (4-chloro-2- (hydroxy (phenyl) methyl) phenyl) isonicotinamide | 中国科学院大连化学物理研究所 | 2023-12-26 | — | — | CN | claimed |
| CN-117285401-A | Synthesis method of chiral N- (4-chloro-2- (hydroxy (phenyl) methyl) phenyl) isonicotinamide | 中国科学院大连化学物理研究所 | 2023-12-26 | — | — | CN | disclosed |
| CN-117285401-A | Synthesis method of chiral N- (4-chloro-2- (hydroxy (phenyl) methyl) phenyl) isonicotinamide | 中国科学院大连化学物理研究所 | 2023-12-26 | — | — | CN | disclosed |