Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.45 |
| ▸ | CETP | P11597 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTR1E | P28566 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20224882 | 0.84 | CYP1A2 (0.52) | KHKCETPHDAC1CYP1A2CYP2D6 | |
| SCHEMBL18474437 | 0.82 | KHK (0.51) | KHKHDAC1MAPTLMNA | |
| SCHEMBL17269902 | 0.81 | TGM2 (0.47) | KHKHDAC1NAMPT | |
| SCHEMBL27760911 | 0.76 | NPSR1 (0.56) | KHKHDAC1CYP3A4CYP2C19MAPT | |
| SCHEMBL31058163 | 0.76 | KHK (0.43) | KHKHDAC1CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL25775264 | 0.73 | MAPT (0.53) | CETPCYP3A4MAPTL3MBTL1POLB | |
| SCHEMBL13696944 | 0.73 | TDP1 (0.53) | MAPTHTR1ENPSR1S1PR3POLB | |
| SCHEMBL1446943 | 0.72 | LIMK2 (0.53) | KHKCYP2D6LMNA | |
| SCHEMBL18530076 | 0.71 | ALDH1A1 (0.52) | HDAC1MAPTBACE1POLBLMNA | |
| SCHEMBL18205875 | 0.71 | L3MBTL1 (0.52) | HDAC1MAPTNPSR1L3MBTL1LMNA |
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-2015175171-A1 | SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES | X-RX DISCOVERY, INC. (US) | 2015-11-19 | — | — | WO | disclosed |