Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.56 |
| ▸ | AGXT | P21549 | 2/20 | 0.56 |
| ▸ | MAOB | P27338 | 4/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4995796 | 0.87 | IDO1 (0.64) | IDO1AGXTMAOBAPPHTT | |
| SCHEMBL8995755 | 0.84 | IDO1 (0.61) | IDO1AGXTMAOBAPPHTT | |
| SCHEMBL28452337 | 0.80 | IDO1 (0.56) | IDO1AGXTMAOBAPPHTT | |
| SCHEMBL7219594 | 0.80 | IDO1 (0.56) | IDO1AGXTMAOBAPPHTT | |
| SCHEMBL4439697 | 0.78 | TSHR (0.71) | IDO1AGXTRAB9ASMN1; SMN2KMT2A | |
| SCHEMBL14520434 | 0.78 | IDO1 (0.54) | IDO1AGXTMAOBAPPHTT | |
| SCHEMBL3328218 | 0.78 | IDO1 (0.54) | IDO1AGXTMAOBAPPHTT | |
| SCHEMBL3851234 | 0.78 | IDO1 (0.54) | IDO1AGXTMAOBAPPHTT | |
| SCHEMBL1109924 | 0.78 | IDO1 (0.54) | IDO1AGXTMAOBAPPHTT | |
| SCHEMBL3328213 | 0.78 | IDO1 (0.54) | IDO1AGXTMAOBAPPHTT |
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-114478667-A | 4', 23-oxygen ether group substituted avermectin B2a/B2B derivative and preparation method and application thereof | 河北威远生物化工有限公司 | 2022-05-13 | — | — | CN | disclosed |