Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | VDR | P11473 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 5/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5514047 | 1.00 | ALDH1A1 (0.60) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL8159336 | 0.86 | ALDH1A1 (0.64) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL11421527 | 0.84 | ALDH1A1 (0.54) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL30033688 | 0.83 | ALDH1A1 (0.65) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL8695311 | 0.83 | ALDH1A1 (0.65) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL241150 | 0.83 | ALDH1A1 (0.65) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL2905738 | 0.83 | ALDH1A1 (0.65) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL80170 | 0.83 | ALDH1A1 (0.65) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL8695675 | 0.83 | ALDH1A1 (0.65) | ALDH1A1GLATDP1TP53TSHR | |
| SCHEMBL1682297 | 0.82 | ALDH1A1 (0.58) | ALDH1A1GLATDP1TP53TSHR |
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-115385847-B | Polysubstituted diaryl compound, preparation method and application thereof | 山东第一医科大学(山东省医学科学院) | 2023-09-29 | — | — | CN | disclosed |
| CN-115385847-A | Polysubstituted diaryl compound and preparation method and application thereof | 山东第一医科大学(山东省医学科学院) | 2022-11-25 | — | — | CN | disclosed |
| CN-113387873-B | Substituted diaryl compound, preparation method and application thereof | 山东第一医科大学(山东省医学科学院) | 2022-09-20 | — | — | CN | disclosed |