Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 5/20 | 0.32 |
| ▸ | HTR2A | P28223 | 4/20 | 0.32 |
| ▸ | HTR2B | P41595 | 4/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | FFAR2 | O15552 | 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 | |
|---|---|---|---|---|
| SCHEMBL20025471 | 0.86 | ADRB1 (0.61) | SLC6A2SLC6A4SLC6A3ADRB1SYK | |
| SCHEMBL20025493 | 0.82 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3ADRB1ALDH1A1 | |
| SCHEMBL20025469 | 0.80 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3ADRB1ALDH1A1 | |
| SCHEMBL20025468 | 0.80 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3ADRB1ALDH1A1 | |
| SCHEMBL20025484 | 0.78 | ALDH1A1 (0.56) | SLC6A2SLC6A4SLC6A3ALDH1A1HSD17B10 | |
| SCHEMBL20025486 | 0.77 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3ADRB1ALDH1A1 | |
| SCHEMBL20025464 | 0.76 | PIK3CA (0.44) | SLC6A2SLC6A4SLC6A3ALDH1A1HSD17B10 | |
| SCHEMBL20025462 | 0.72 | EIF2AK4 (0.49) | SLC6A2SLC6A4SLC6A3ADRB1SYK | |
| SCHEMBL20025478 | 0.71 | LRRK2 (0.41) | SLC6A2SLC6A4SLC6A3ADRB1ALDH1A1 | |
| SCHEMBL29367680 | 0.71 | ADRB1 (0.47) | ADRB1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018059537-A1 | DIAZASPIRO[5.5]UNDECANE DERIVATIVE AND USE THEREOF | 四川海思科制药有限公司 | 2018-04-05 | — | — | WO | disclosed |