Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 9/20 | 0.40 |
| ▸ | CPA1 | P15085 | 3/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GSR | P00390 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12122100 | 1.00 | NPC1 (0.46) | NPC1ADAM17KDM4EMAPTMAPK1 | |
| SCHEMBL21686410 | 1.00 | NPC1 (0.46) | NPC1ADAM17KDM4EMAPTMAPK1 | |
| SCHEMBL4788685 | 0.85 | NPC1 (0.55) | NPC1ADAM17KDM4EMAPTMAPK1 | |
| SCHEMBL27725253 | 0.83 | ALDH1A1 (0.56) | NPC1KDM4EMAPTMAPK1TDP1 | |
| SCHEMBL21197684 | 0.83 | SERPINH1 (0.44) | KDM4EMAPTCNR1MEN1POLB | |
| SCHEMBL27725252 | 0.83 | ALDH1A1 (0.56) | NPC1KDM4EMAPTMAPK1TDP1 | |
| SCHEMBL21198531 | 0.83 | SERPINH1 (0.44) | KDM4EMAPTCNR1MEN1POLB | |
| SCHEMBL21197683 | 0.83 | SERPINH1 (0.44) | KDM4EMAPTCNR1MEN1POLB | |
| SCHEMBL27725205 | 0.83 | ALDH1A1 (0.42) | KDM4EMAPTNPSR1CNR1MEN1 | |
| SCHEMBL35210085 | 0.83 | NPC1 (0.44) | NPC1ADAM17KDM4EMAPTMAPK1 |
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-101333168-B | Novel method for synthesizing chiral beta-aryl-gamma-aminobutyric acid compounds | EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2012-02-01 | — | — | CN | disclosed |
| CN-101333168-A | Novel method for synthesizing chiral beta-aryl-gamma-aminobutyric acid compounds | UNIV EAST CHINA SCIENCE & TECH (CN) | 2008-12-31 | — | — | CN | disclosed |