Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | ARNT | P27540 | 1/20 | 0.36 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.36 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.36 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5168384 | 0.81 | MEN1 (0.41) | ALDH1A1MAPTTSHRGPR35MEN1 | |
| SCHEMBL28610797 | 0.79 | GPR35 (0.44) | ALDH1A1MAPTTDP1TSHRGPR35 | |
| SCHEMBL28727271 | 0.79 | KMT2A (0.46) | ALDH1A1MAPTTSHRMAPK1GPR35 | |
| SCHEMBL3948172 | 0.77 | MEN1 (0.59) | ALDH1A1MAPTTDP1TSHRMAPK1 | |
| SCHEMBL5722680 | 0.72 | TSHR (0.55) | ALDH1A1TSHR | |
| SCHEMBL30592428 | 0.71 | MEN1 (0.65) | ALDH1A1MAPTTDP1TSHRMAPK1 | |
| SCHEMBL31530748 | 0.71 | LMNA (0.57) | ALDH1A1MAPTTDP1TSHRMAPK1 | |
| SCHEMBL31530747 | 0.71 | LMNA (0.57) | ALDH1A1MAPTTDP1TSHRMAPK1 | |
| SCHEMBL8552936 | 0.71 | LMNA (0.57) | ALDH1A1MAPTTDP1TSHRMAPK1 | |
| SCHEMBL7073313 | 0.70 | KMT2A (0.68) | ALDH1A1MAPTTDP1MEN1KMT2A |
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-113264978-B | Novel molecular targeting anti-tumor aza steroid derivative based on lipotoxicity and preparation method and application thereof | 重庆医科大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-113264978-A | Novel molecular targeting anti-tumor aza steroid derivative based on lipotoxicity, preparation and application thereof | 重庆医科大学 | 2021-08-17 | — | — | CN | disclosed |