Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.44 |
| ▸ | CTSB | P07858 | 4/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | CTSH | P09668 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
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) | GPR35CTSBCTSHALDH1A1MAPT | |
| SCHEMBL28727271 | 0.79 | KMT2A (0.46) | GPR35ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL28612249 | 0.79 | ALDH1A1 (0.41) | GPR35HSP90AA1ALDH1A1MAPTMEN1 | |
| SCHEMBL2863690 | 0.77 | MEN1 (0.59) | GPR35HSP90AA1HSP90AB1ALDH1A1MAPT | |
| SCHEMBL9670587 | 0.74 | TYMS (0.49) | GPR35HSP90AA1HSP90AB1ALDH1A1MAPT | |
| SCHEMBL30592428 | 0.71 | MEN1 (0.65) | GPR35CTSBHSP90AA1HSP90AB1ALDH1A1 | |
| Dnqx SCHEMBL1258964 | 0.71 | POLB (0.57) | GPR35HSP90AA1HSP90AB1ALDH1A1MAPT | |
| SCHEMBL7073313 | 0.70 | KMT2A (0.68) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL3302919 | 0.70 | TSHR (0.56) | GPR35CTSBALDH1A1SMN1; SMN2CASP6 | |
| SCHEMBL28411867 | 0.69 | KMT2A (0.71) | ALDH1A1MAPTLMNAMEN1KMT2A |
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 |