Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | AR | P10275 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28096597 | 0.92 | MAOA (0.45) | MAOAMAOBARL3MBTL1POLB | |
| Cyanide SCHEMBL28096602 | 0.81 | MAOA (0.49) | MAOAMAOBARL3MBTL1POLB | |
| Cyanide SCHEMBL28096850 | 0.80 | LMNA (0.45) | MAOAMAOBARL3MBTL1POLB | |
| SCHEMBL12062279 | 0.77 | KIF11 (0.50) | L3MBTL1POLBLMNAHTTHDAC4 | |
| SCHEMBL12062252 | 0.73 | LMNA (0.47) | L3MBTL1POLBLMNAHTTACHE | |
| SCHEMBL12417828 | 0.72 | MAOA (0.50) | MAOAMAOBARPOLBHTT | |
| Methylamine SCHEMBL28096813 | 0.72 | LMNA (0.46) | MAOAMAOBARL3MBTL1POLB | |
| SCHEMBL18893508 | 0.71 | MAOA (0.49) | MAOAMAOBARPOLBNPC1 | |
| SCHEMBL638290 | 0.70 | ALDH1A1 (0.61) | MAOAMAOBARL3MBTL1POLB | |
| SCHEMBL28023565 | 0.69 | ALDH1A1 (0.58) | MAOAMAOBARL3MBTL1POLB |
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-105906564-B | Compound, preparation method and its usage | 海南省药物研究所 | 2018-11-30 | — | — | CN | disclosed |
| CN-105906564-A | Compound and preparation method and use thereof | 海南省药物研究所 | 2016-08-31 | — | — | CN | disclosed |