Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.62 |
| ▸ | KDR | P35968 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 7/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | CTSL | P07711 | 2/20 | 0.52 |
| ▸ | CTSB | P07858 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | GUSB | P08236 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28817356 | 1.00 | MAOB (0.62) | MAOBKDRMAPTMAPK1ALDH1A1 | |
| SCHEMBL28096257 | 0.84 | MAOB (0.76) | MAOBKDRMAPTALDH1A1USP2 | |
| SCHEMBL28096255 | 0.84 | MAOB (0.76) | MAOBKDRMAPTALDH1A1USP2 | |
| SCHEMBL28095918 | 0.81 | MAOB (0.76) | MAOBKDRMAPTMAPK1ALDH1A1 | |
| SCHEMBL28095917 | 0.81 | MAOB (0.76) | MAOBKDRMAPTMAPK1ALDH1A1 | |
| SCHEMBL1483823 | 0.77 | MAOB (0.78) | MAOBKDRMAPTALDH1A1USP2 | |
| SCHEMBL1483822 | 0.77 | MAOB (0.78) | MAOBKDRMAPTALDH1A1USP2 | |
| SCHEMBL28833522 | 0.77 | MAOB (0.49) | MAOBKDRMAPTALDH1A1USP2 | |
| SCHEMBL28464852 | 0.77 | MAOB (0.49) | MAOBKDRMAPTALDH1A1USP2 | |
| SCHEMBL26319685 | 0.77 | MAOB (0.78) | MAOBKDRMAPTALDH1A1USP2 |
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-114907439-B | Anticancer compound and pharmaceutical application thereof | 云南中医药大学 | 2023-07-21 | — | — | CN | disclosed |
| CN-114907439-A | Anticancer compound and pharmaceutical application thereof | 云南中医药大学 | 2022-08-16 | — | — | CN | disclosed |