Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | AR | P10275 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Cyanide SCHEMBL28096608 | 0.81 | MAOA (0.48) | MAOAMAOBARNPC1RAB9A | |
| SCHEMBL10599472 | 0.79 | ALDH1A1 (0.57) | NPC1RAB9AALDH1A1L3MBTL1HRH3 | |
| Cyanide SCHEMBL28096799 | 0.77 | MAOA (0.46) | MAOAMAOBARNPC1RAB9A | |
| SCHEMBL8031520 | 0.76 | ALDH1A1 (0.51) | MAOAMAOBNPC1RAB9AALDH1A1 | |
| SCHEMBL11196940 | 0.76 | ALDH1A1 (0.50) | NPC1RAB9AALDH1A1L3MBTL1HRH3 | |
| SCHEMBL5168465 | 0.75 | ALDH1A1 (0.53) | MAOAMAOBNPC1RAB9AALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL7246795 | 0.74 | ALDH1A1 (0.49) | MAOAMAOBNPC1RAB9AALDH1A1 | |
| SCHEMBL21713291 | 0.74 | MAOA (0.53) | MAOAMAOBARNPC1RAB9A | |
| SCHEMBL11391036 | 0.73 | MAOA (0.40) | MAOAMAOBARNPC1RAB9A | |
| SCHEMBL11387316 | 0.73 | MAOA (0.40) | MAOAMAOBARNPC1RAB9A |
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-105906564-A | Compound and preparation method and use thereof | 海南省药物研究所 | 2016-08-31 | — | — | CN | disclosed |