Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | GLA | P06280 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | TDO2 | P48775 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10613479 | 0.80 | HSD17B10 (0.63) | DYRK1ALMNAHSD17B10MAPK1SMN1; SMN2 | |
| SCHEMBL7646497 | 0.72 | HTR2A (0.46) | — | |
| SCHEMBL8513030 | 0.69 | GRM1 (0.46) | HSD17B10KDM4EALDH1A1HPGDHTT | |
| SCHEMBL29958390 | 0.68 | HTT (0.62) | LMNAHSD17B10MAPK1TSHRHTT | |
| SCHEMBL2557692 | 0.68 | KMT2A (0.46) | KDM4EALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL3621970 | 0.65 | GLA (0.66) | LMNAHSD17B10MAPK1SMN1; SMN2KDM4E | |
| SCHEMBL5806746 | 0.64 | PDE3A (0.47) | DYRK1A | |
| SCHEMBL4687065 | 0.64 | CHKA (0.52) | MAPK1SMN1; SMN2KDM4EALDH1A1TSHR | |
| Water SCHEMBL27633216 | 0.64 | GLA (0.64) | LMNAHSD17B10MAPK1SMN1; SMN2KDM4E | |
| SCHEMBL7496088 | 0.64 | TDO2 (0.53) | HSD17B10MAPK1KDM4EALDH1A1HPGD |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112010939-B | RGD sequence peptide modified hexacyclic piperazinedione, preparation, anti-inflammatory activity and application thereof | 首都医科大学 | 2022-08-05 | — | — | CN | disclosed |
| CN-112010935-B | Acetyl RGD modified hexacyclic piperazinedione, preparation, anti-tumor activity and application thereof | 首都医科大学 | 2022-08-05 | — | — | CN | disclosed |
| CN-112010929-B | RGD sequence peptide modified hexacyclic piperazinedione, preparation, transfer-resistant activity and application thereof | 首都医科大学 | 2022-08-05 | — | — | CN | disclosed |
| CN-111978372-B | RGD sequence peptide modified hexacyclic piperazinedione, preparation, antitumor activity and application thereof | 首都医科大学 | 2022-08-02 | — | — | CN | disclosed |
| CN-112010938-B | Acetyl RGD modified hexacyclic piperazinedione, preparation, anti-inflammatory activity and application thereof | 首都医科大学 | 2022-08-02 | — | — | CN | disclosed |
| CN-112010934-B | Acetyl RGD modified hexacyclic piperazinedione, preparation, transfer-resistant activity and application thereof | 首都医科大学 | 2022-08-02 | — | — | CN | disclosed |
| CN-112010855-B | Hexacyclic piperazinedione compounds, preparation, biological activity and application thereof | 首都医科大学 | 2021-06-08 | — | — | CN | disclosed |
| CN-112010938-A | Acetyl RGD modified hexacyclic piperazinedione, preparation, anti-inflammatory activity and application thereof | 首都医科大学 | 2020-12-01 | — | — | CN | disclosed |
| CN-112010929-A | RGD sequence peptide modified hexacyclic piperazinedione, preparation, transfer-resistant activity and application thereof | 首都医科大学 | 2020-12-01 | — | — | CN | disclosed |
| CN-112010935-A | Acetyl RGD modified hexacyclic piperazinedione, preparation, anti-tumor activity and application thereof | 首都医科大学 | 2020-12-01 | — | — | CN | disclosed |
| CN-112010934-A | Acetyl RGD modified hexacyclic piperazinedione, preparation, transfer-resistant activity and application thereof | 首都医科大学 | 2020-12-01 | — | — | CN | disclosed |
| CN-112010855-A | Hexacyclic piperazinedione compounds, preparation, biological activity and application thereof | 首都医科大学 | 2020-12-01 | — | — | CN | disclosed |
| CN-112010939-A | RGD sequence peptide modified hexacyclic piperazinedione, preparation, anti-inflammatory activity and application thereof | 首都医科大学 | 2020-12-01 | — | — | CN | disclosed |
| CN-111978372-A | RGD sequence peptide modified hexacyclic piperazinedione, preparation, antitumor activity and application thereof | 首都医科大学 | 2020-11-24 | — | — | CN | disclosed |