Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | MARS1 | P56192 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | ESRRG | P62508 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL1821169 | 0.82 | LCK (0.42) | GRIK1MARS1CES2CES1HDAC1 | |
| SCHEMBL11627985 | 0.75 | ABAT (0.37) | GRIK1MARS1CES2CES1LCK | |
| SCHEMBL10337824 | 0.73 | ADRA2A (0.34) | NPC1 | |
| SCHEMBL25185645 | 0.73 | CTSS (0.38) | IDH1NPC1RAB9AMAPTHTT | |
| SCHEMBL7391543 | 0.72 | POLB (0.47) | GRIK1MARS1CES2CES1HDAC1 | |
| SCHEMBL6696349 | 0.71 | ERCC1 (0.47) | HPGDNPC1KMT2ARAB9AMAPT | |
| SCHEMBL10557721 | 0.71 | NPC1 (0.56) | GRIK1MARS1HPGDNPC1KMT2A | |
| SCHEMBL29473470 | 0.70 | HPGD (0.47) | GRIK1MARS1CES2CES1HDAC1 | |
| SCHEMBL6715569 | 0.70 | ALDH1A1 (0.53) | HDAC1HPGDNPC1KMT2ARAB9A | |
| SCHEMBL7432515 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4086423-A | CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND | MERCK & CO., INC. (US) | 1978-04-25 | — | — | US | disclosed |