Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | RAB9A | P51151 | 1/20 | 0.67 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.52 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | LDHB | P07195 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28415675 | 0.93 | RAB9A (0.57) | NPC1RAB9AEPHX2P2RX1LDHA | |
| SCHEMBL23332260 | 0.84 | MAPT (0.49) | NPC1RAB9AP2RX1MEN1GAA | |
| SCHEMBL27214948 | 0.81 | RAB9A (0.61) | NPC1RAB9AEPHX2SMN1; SMN2MEN1 | |
| SCHEMBL28216627 | 0.81 | MAPT (0.62) | RAB9AP2RX1SMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL393417 | 0.80 | ALDH1A1 (0.48) | NPC1RAB9AEPHX2SMN1; SMN2MEN1 | |
| SCHEMBL2564890 | 0.80 | NPC1 (1.00) | NPC1RAB9AP2RX1MEN1KMT2A | |
| SCHEMBL4862357 | 0.79 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL4863401 | 0.79 | TRPV1 (0.48) | NPC1RAB9AEPHX2MAPTPTGS1 | |
| SCHEMBL2941678 | 0.79 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| Iodide SCHEMBL30758553 | 0.79 | NPC1 (0.96) | NPC1RAB9AP2RX1MEN1KMT2A |
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-109796372-A | A method of preparing polysubstituted alkenyl amidine | 中国科学院化学研究所 | 2019-05-24 | — | — | CN | disclosed |