Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 14/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 13/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
| ▸ | MLNR | O43193 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL2380649 | 0.84 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3SSTR4REN | |
| SCHEMBL1206581 | 0.84 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL27694279 | 0.82 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3SSTR4REN | |
| Hydrochloric Acid SCHEMBL17111268 | 0.82 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| Hydrochloric Acid SCHEMBL31293114 | 0.82 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL10505054 | 0.81 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3SSTR4KDM4E | |
| SCHEMBL27627776 | 0.79 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3SSTR4 | |
| SCHEMBL27619774 | 0.78 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3SSTR4MLNR | |
| Hydrochloric Acid SCHEMBL21838844 | 0.78 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3SSTR4REN | |
| Propionamide SCHEMBL27586347 | 0.77 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3MLNRADRB2 |
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-107417644-A | The preparation method of acrylamides | 深圳市有为化学技术有限公司 | 2017-12-01 | — | — | CN | claimed |
| CN-101965351-A | Benzofuran pyrimidinones | EXELIXIS INC | 2011-02-02 | — | — | CN | disclosed |
| US-5348954-A | Heterocyclic chelating agents | NYCOMED IMAGING AS (NO) | 1994-09-20 | — | — | US | disclosed |
| EP-0452392-A1 | HETEROCYCLIC CHELATING AGENTS. | NYCOMED AS (NO) | 1991-10-23 | — | — | EP | disclosed |