Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28462222 | 0.78 | ALDH1A1 (0.43) | ALDH1A1KDM4ERAB9AHSD17B10NPC1 | |
| SCHEMBL8087934 | 0.78 | TGFBR1 (0.65) | TGFBR1MAPK14ALDH1A1KDM4ERAB9A | |
| SCHEMBL17599154 | 0.76 | TGFBR1 (0.63) | TGFBR1MAPK14ALDH1A1KDM4ERAB9A | |
| SCHEMBL13169332 | 0.76 | MAPT (0.56) | TGFBR1MAPK14CYP3A4ALDH1A1KDM4E | |
| SCHEMBL1448395 | 0.71 | TDO2 (0.55) | ALDH1A1KDM4ERAB9AHSD17B10NPC1 | |
| SCHEMBL29445837 | 0.71 | TDO2 (0.55) | ALDH1A1KDM4ERAB9AHSD17B10NPC1 | |
| SCHEMBL24836654 | 0.71 | MAPT (0.50) | TGFBR1MAPK14CYP3A4ALDH1A1KDM4E | |
| SCHEMBL30103541 | 0.70 | TDO2 (0.54) | ALDH1A1KDM4ERAB9AHSD17B10NPC1 | |
| SCHEMBL73268 | 0.70 | PIM1 (0.49) | ALDH1A1KDM4ERAB9AHSD17B10NPC1 | |
| SCHEMBL1395241 | 0.69 | HPRT1 (0.52) | ALDH1A1KDM4ERAB9AHSD17B10NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105820103-A | N-benzoyloxy-substituted benzopyrroline-2-ketones derivative and application thereof | 北京韩美药品有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-105732643-A | Conjugate and preparation method thereof and application to preparation of IDO enzyme inhibitor and non-steroidal anti-inflammatory drugs | 苏州大学 | 2016-07-06 | — | — | CN | disclosed |