Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2930647 | 0.90 | SLC6A2 (0.44) | GPR3ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL28536140 | 0.82 | PPARA (0.42) | KCNH2RARBPPARGPPARA | |
| SCHEMBL28907669 | 0.79 | CYP1A2 (0.46) | LMNATP53CYP3A4HSPD1HSPE1 | |
| SCHEMBL28088404 | 0.76 | CNR2 (0.41) | KCNH2LMNAACHE | |
| SCHEMBL13719615 | 0.73 | PDK2 (0.43) | GPR3SLC6A2SLC6A4ALDH1A1LMNA | |
| SCHEMBL31026796 | 0.72 | TRPA1 (0.42) | ESR1KDM4EALDH1A1LMNACYP3A4 | |
| SCHEMBL11891885 | 0.72 | HRH3 (0.44) | KCNH2RARBSPHK2SPHK1 | |
| SCHEMBL28088125 | 0.71 | CNR2 (0.46) | ACHE | |
| SCHEMBL28540993 | 0.71 | HRH3 (0.46) | GPR3KDM4EALDH1A1LMNA | |
| SCHEMBL8752750 | 0.70 | GPR3 (0.54) | GPR3ESR1ADRA2AADORA3TACR2 |
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-112358399-B | Reagent for separating amine-containing compounds and application thereof | 苏州金顶生物有限公司 | 2021-04-23 | — | — | CN | disclosed |
| CN-112358399-A | Reagent for separating amine-containing compounds and application thereof | 苏州金顶生物有限公司 | 2021-02-12 | — | — | CN | disclosed |