Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 5/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL534745 | 0.83 | MAOB (0.46) | MAOBCYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL31036773 | 0.78 | PPARG (0.44) | MAOBCYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL4311358 | 0.77 | EPHX1 (0.43) | MAOBCYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL20489214 | 0.77 | MAOB (0.45) | MAOBCYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL14775218 | 0.76 | CYP1A2 (0.46) | MAOBCYP1A2TSHREPHX1PKM | |
| SCHEMBL10546279 | 0.76 | MAOB (0.44) | MAOBCYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL14775221 | 0.76 | CYP1A2 (0.46) | MAOBCYP1A2TSHREPHX1PKM | |
| SCHEMBL20489216 | 0.74 | MAOB (0.42) | MAOBCYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL4306413 | 0.73 | MAOB (0.41) | MAOBCYP1A2CYP2D6TSHRCYP3A4 | |
| SCHEMBL4306985 | 0.73 | ALDH1A1 (0.44) | MAOBCYP1A2TSHRPKMKDM4E |
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-2018158675-A1 | MIXTURE COMPRISING 2-(3,4-DIMETHYL-1H-PYRAZOL-1-YL) SUCCINIC ACID AND/OR ITS 4,5-ISOMER AND A COMPOUND COMPRISING AN ETHER GROUP, AN ALKYNYL GROUP AND A BENZYL GROUP AS WELL AS THE USE THEREOF AS NITRIFICATION INHIBITOR | BASF SE (DE) | 2018-09-07 | — | — | WO | disclosed |