Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.51 |
| ▸ | CTSS | P25774 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6757481 | 0.88 | ITGB3 (0.50) | ITGB3ITGA2BCTSSMEN1KMT2A | |
| SCHEMBL15966609 | 0.87 | ITGB3 (0.49) | ITGB3ITGA2BCTSSMEN1KMT2A | |
| SCHEMBL3584842 | 0.86 | CTSS (0.52) | ITGB3ITGA2BCTSSMEN1KMT2A | |
| SCHEMBL2963801 | 0.86 | CTSS (0.52) | ITGB3ITGA2BCTSSMEN1KMT2A | |
| SCHEMBL1150931 | 0.86 | CTSS (0.57) | ITGB3ITGA2BCTSSMEN1KMT2A | |
| SCHEMBL1150932 | 0.86 | CTSS (0.57) | ITGB3ITGA2BCTSSMEN1KMT2A | |
| SCHEMBL5970504 | 0.86 | CTSS (0.57) | ITGB3ITGA2BCTSSMEN1KMT2A | |
| SCHEMBL8981264 | 0.85 | MEN1 (0.50) | CTSSMEN1KMT2AMBOAT4CTSL | |
| SCHEMBL2777679 | 0.85 | HTT (0.52) | ITGB3ITGA2BCTSSMEN1KMT2A | |
| SCHEMBL1398932 | 0.85 | HTT (0.52) | ITGB3ITGA2BCTSSMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106008242-A | Asymmetric alcoholysis catalyzed by chiral thiourea amine salt | 惠州市莱佛士制药技术有限公司 | 2016-10-12 | — | — | CN | claimed |
| CN-105753726-A | Preparation method for asymmetrical synthesis of pregabalin | 深圳市华先医药科技有限公司 | 2016-07-13 | — | — | CN | claimed |
| CN-106008242-A | Asymmetric alcoholysis catalyzed by chiral thiourea amine salt | 惠州市莱佛士制药技术有限公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-105753726-A | Preparation method for asymmetrical synthesis of pregabalin | 深圳市华先医药科技有限公司 | 2016-07-13 | — | — | CN | disclosed |