Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | GUSB | P08236 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1257771 | 1.00 | MAOA (0.41) | MAOAMAOBESR1ESR2LTB4R | |
| SCHEMBL170331 | 1.00 | MAOA (0.41) | MAOAMAOBESR1ESR2LTB4R | |
| SCHEMBL19204624 | 0.82 | RET (0.38) | RETKDRPTPN1 | |
| SCHEMBL17220876 | 0.82 | RET (0.38) | RETKDRPTPN1 | |
| SCHEMBL2967633 | 0.82 | GABRA1 (0.46) | MAOBALDH1A1MEN1LMNAMAPT | |
| SCHEMBL11220525 | 0.81 | MAOA (0.38) | MAOAMAOBESR1ESR2LTB4R | |
| SCHEMBL25669484 | 0.81 | MAOA (0.38) | MAOAMAOBESR1ESR2LTB4R | |
| SCHEMBL13287870 | 0.81 | MAOB (0.38) | MAOAMAOBESR1ESR2LTB4R | |
| SCHEMBL7241380 | 0.81 | MAOA (0.38) | MAOAMAOBESR1ESR2RET | |
| SCHEMBL28126784 | 0.81 | XDH (0.57) | GUSBALDH1A1MAPTXDHPTPN1 |
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-117658967-A | Preparation method of flavan-3, 4-diol derivative | 朗华生物科学(深圳)有限公司 | 2024-03-08 | — | — | CN | disclosed |