Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 4/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28832015 | 0.91 | ALDH1A1 (0.38) | SMN1; SMN2RAB9AHTR6ALDH1A1DRD2 | |
| SCHEMBL29143300 | 0.81 | HTR6 (0.44) | SMN1; SMN2GAAHTR6ALDH1A1KMT2A | |
| SCHEMBL11999976 | 0.77 | MEN1 (0.52) | GAARAB9AHTR6ALDH1A1KMT2A | |
| SCHEMBL5040066 | 0.76 | HTR6 (0.47) | SMN1; SMN2GAAHTR6ALDH1A1HPGD | |
| SCHEMBL12002188 | 0.71 | HTR6 (0.50) | GAAHTR6ALDH1A1KMT2AKDM4E | |
| SCHEMBL2799840 | 0.70 | HTR6 (0.47) | GAAHTR6ALDH1A1HPGDKMT2A | |
| SCHEMBL28262932 | 0.68 | ALDH1A1 (0.47) | SMN1; SMN2GAARAB9AALDH1A1HPGD | |
| SCHEMBL2797396 | 0.68 | HTR6 (0.47) | SMN1; SMN2GAARAB9AHTR6ALDH1A1 | |
| SCHEMBL4225409 | 0.67 | PTGER3 (0.49) | SMN1; SMN2ALDH1A1KMT2AKDM4EHSD17B10 | |
| SCHEMBL98218 | 0.65 | CYP19A1 (0.54) | SMN1; SMN2GAARAB9AHTR6ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114702444-A | AHA1 inhibitor with multiple myeloma resisting effect and preparation method and application thereof | 南京中医药大学 | 2022-07-05 | — | — | CN | disclosed |