Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | USP2 | O75604 | 2/20 | 0.55 |
| ▸ | HTR3A | P46098 | 7/20 | 0.51 |
| ▸ | HPGD | P15428 | 5/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28941646 | 1.00 | ALDH1A1 (0.55) | ALDH1A1HSD17B10KDM4ETSHRUSP2 | |
| SCHEMBL28751104 | 0.88 | ALDH1A1 (0.55) | ALDH1A1HSD17B10KDM4ETSHRUSP2 | |
| SCHEMBL29602447 | 0.88 | ALDH1A1 (0.55) | ALDH1A1HSD17B10KDM4ETSHRUSP2 | |
| SCHEMBL28751098 | 0.84 | TP53 (0.62) | ALDH1A1HTR3AHPGDTP53SMN1; SMN2 | |
| SCHEMBL28751099 | 0.80 | ADORA2A (0.51) | ALDH1A1HSD17B10KDM4ETSHRUSP2 | |
| SCHEMBL15567922 | 0.79 | ALDH1A1 (0.64) | ALDH1A1HSD17B10KDM4ETSHRUSP2 | |
| SCHEMBL30611753 | 0.73 | ALDH1A1 (0.70) | ALDH1A1HSD17B10KDM4ETSHRUSP2 | |
| SCHEMBL26922913 | 0.73 | ALDH1A1 (0.70) | ALDH1A1HSD17B10KDM4ETSHRUSP2 | |
| SCHEMBL28378126 | 0.72 | ALDH1A1 (1.00) | ALDH1A1HSD17B10KDM4ETSHRUSP2 | |
| SCHEMBL29602446 | 0.72 | TP53 (0.65) | ALDH1A1HPGDTP53SMN1; SMN2MAPT |
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-114560813-B | Benzimidazole MK2 allosteric inhibitor and preparation method and application thereof | 南京中医药大学 | 2023-09-12 | — | — | CN | disclosed |
| CN-114560813-A | Benzimidazole MK2 allosteric inhibitor and preparation method and application thereof | 南京中医药大学 | 2022-05-31 | — | — | CN | disclosed |