Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | PON1 | P27169 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 2/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17193877 | 0.78 | NPC1 (0.36) | SMN1; SMN2HPGDRAB9AMTNR1AMTNR1B | |
| SCHEMBL23218380 | 0.75 | CYP1A2 (0.42) | CYP1A2CYP2A6MAOASMN1; SMN2HPGD | |
| SCHEMBL433952 | 0.74 | CYP1A2 (0.46) | CYP1A2CYP2A6MAOASMN1; SMN2HPGD | |
| SCHEMBL27921495 | 0.71 | CYP1A2 (0.42) | CYP1A2CYP2A6MAOASMN1; SMN2HPGD | |
| SCHEMBL3399447 | 0.70 | PPARG (0.63) | SMN1; SMN2HPGDRAB9AALDH1A1LMNA | |
| SCHEMBL29803387 | 0.70 | PPARG (0.63) | SMN1; SMN2HPGDRAB9AALDH1A1LMNA | |
| SCHEMBL16707913 | 0.69 | CYP1A2 (0.41) | CYP1A2CYP2A6MAOASMN1; SMN2HPGD | |
| SCHEMBL28151177 | 0.69 | MAOB (0.43) | MAOASMN1; SMN2HPGDALDH1A1LMNA | |
| SCHEMBL29994456 | 0.69 | ALDH1A1 (0.50) | CYP2A6HPGDRAB9AALDH1A1LMNA | |
| SCHEMBL4149836 | 0.68 | LOXL2 (0.64) | CYP2A6SMN1; SMN2HPGDLOXL2 |
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-103709163-B | Xanthine derivative, Preparation Method And The Use | 齐鲁制药有限公司 | 2016-12-21 | — | — | CN | disclosed |