Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.40 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20598777 | 0.86 | SMN1; SMN2 (0.45) | SMN1; SMN2CYP2C19NPC1RAB9AHTR2C | |
| SCHEMBL16903465 | 0.81 | SMN1; SMN2 (0.45) | SMN1; SMN2CYP2C19NPC1RAB9AHTR2C | |
| SCHEMBL16903468 | 0.80 | SMN1; SMN2 (0.49) | SMN1; SMN2CYP2C19NPC1RAB9AHTR2C | |
| SCHEMBL6627044 | 0.80 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP2C19NPC1RAB9AHTR2C | |
| SCHEMBL17237781 | 0.80 | HTR2C (0.45) | SMN1; SMN2CYP2C19NPC1RAB9AHTR2C | |
| SCHEMBL10797345 | 0.78 | ALDH1A1 (0.53) | SMN1; SMN2CYP2C19NPC1RAB9AHTR2C | |
| SCHEMBL30402590 | 0.77 | KMT2A (0.49) | GAAKMT2AALDH1A1HTT | |
| SCHEMBL28216747 | 0.76 | MEN1 (0.48) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL23460666 | 0.75 | ALDH1A1 (0.46) | SMN1; SMN2CYP2C19ALDH1A1 | |
| SCHEMBL23476693 | 0.75 | ALDH1A1 (0.46) | SMN1; SMN2CYP2C19ALDH1A1 |
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-116082337-B | Alkynyl-substituted heterocyclic compounds, process for their preparation and their use in medicine | 英矽智能科技(上海)有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-116082337-A | Alkynyl-substituted heterocyclic compounds, process for their preparation and their use in medicine | 英矽智能科技(上海)有限公司 | 2023-05-09 | — | — | CN | disclosed |