Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.76 |
| ▸ | LMNA | P02545 | 5/20 | 0.76 |
| ▸ | TP53 | P04637 | 2/20 | 0.76 |
| ▸ | MAPT | P10636 | 8/20 | 0.66 |
| ▸ | BCHE | P06276 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.59 |
| ▸ | RECQL | P46063 | 3/20 | 0.58 |
| ▸ | MAOB | P27338 | 3/20 | 0.58 |
| ▸ | PLIN1 | O60240 | 2/20 | 0.58 |
| ▸ | PLIN5 | Q00G26 | 2/20 | 0.58 |
| ▸ | ABHD5 | Q8WTS1 | 2/20 | 0.58 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14692643 | 1.00 | ALDH1A1 (0.76) | ALDH1A1LMNATP53MAPTBCHE | |
| SCHEMBL14692644 | 1.00 | ALDH1A1 (0.76) | ALDH1A1LMNATP53MAPTBCHE | |
| SCHEMBL13203507 | 0.89 | ALDH1A1 (0.67) | ALDH1A1LMNATP53MAPTBCHE | |
| SCHEMBL25217889 | 0.89 | ALDH1A1 (0.70) | ALDH1A1LMNATP53MAPTBCHE | |
| SCHEMBL25216360 | 0.89 | ALDH1A1 (0.70) | ALDH1A1LMNATP53MAPTBCHE | |
| SCHEMBL25265248 | 0.88 | TP53 (0.74) | ALDH1A1LMNATP53MAPTBCHE | |
| SCHEMBL25216133 | 0.88 | TP53 (0.74) | ALDH1A1LMNATP53MAPTBCHE | |
| SCHEMBL30384879 | 0.88 | TP53 (0.74) | ALDH1A1LMNATP53MAPTBCHE | |
| SCHEMBL1320962 | 0.86 | ALDH1A1 (0.72) | ALDH1A1LMNATP53MAPTBCHE | |
| SCHEMBL1320961 | 0.86 | ALDH1A1 (0.72) | ALDH1A1LMNATP53MAPTBCHE |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113995738-B | Application of 2' -halogenated chalcone derivative in preparation of medicine for treating liver related diseases | 中国医学科学院药物研究所 | 2024-02-06 | — | — | CN | disclosed |
| CN-114073688-B | Application of 2, 3-diaryl derivative in preparing medicament for treating liver related diseases | 中国医学科学院药物研究所 | 2024-02-06 | — | — | CN | disclosed |
| CN-113979851-B | 2' -halogenated chalcone derivative, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-01-12 | — | — | CN | disclosed |
| CN-114075102-B | 2, 3-diaryl indene derivative, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-01-12 | — | — | CN | disclosed |
| CN-117105763-A | Halogenated chalcone heterocyclic derivative, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2023-11-24 | — | — | CN | disclosed |
| CN-116986977-A | Halogenated chalcone derivative, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2023-11-03 | — | — | CN | disclosed |
| CN-114075102-A | 2, 3-diaryl indene derivative, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-02-22 | — | — | CN | disclosed |
| CN-113979851-A | 2' -halogenated chalcone derivative, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-01-28 | — | — | CN | disclosed |