Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL10651535 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C19LMNAPOLB | |
| SCHEMBL8499687 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C19LMNAPOLB | |
| SCHEMBL10651538 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C19LMNAPOLB | |
| SCHEMBL8955891 | 0.93 | SLC6A19 (0.48) | CYP1A2CYP2D6CYP2C19LMNAPOLB | |
| SCHEMBL8955895 | 0.93 | SLC6A19 (0.48) | CYP1A2CYP2D6CYP2C19LMNAPOLB | |
| SCHEMBL9305792 | 0.85 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP2C19LMNAPOLB | |
| SCHEMBL10742837 | 0.81 | LCK (0.49) | TNNC1 | |
| SCHEMBL10753147 | 0.81 | LCK (0.49) | TNNC1 | |
| SCHEMBL16974816 | 0.81 | LCK (0.49) | TNNC1 | |
| SCHEMBL16679898 | 0.81 | LCK (0.49) | TNNC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108017592-A | A kind of synthetic method of cis-1,1- cyclopropane dicarboxylic acids diethylester | 亳州学院 | 2018-05-11 | — | — | CN | disclosed |
| US-5952316-A | FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1999-09-14 | — | — | US | disclosed |
| EP-0627406-B1 | 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT | YOSHITOMI PHARMACEUTICAL (JP) | 1998-10-28 | — | — | EP | disclosed |
| US-5719176-A | 2-amino-1,3-propanediol compound and immunosuppressant | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1998-02-17 | — | — | US | disclosed |
| US-5604229-A | 2-amino-1,3-propanediol compound and immunosuppressant | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1997-02-18 | — | — | US | disclosed |
| EP-0627406-A1 | 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-12-07 | — | — | EP | disclosed |