Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28035839 | 1.00 | NAAA (0.47) | NAAAEPHX1TSHRZDHHC7MAPT | |
| SCHEMBL8506925 | 0.89 | ALDH1A1 (0.45) | NAAAEPHX1TSHRMAPTHCAR2 | |
| SCHEMBL28288321 | 0.88 | ZDHHC7 (0.43) | ZDHHC7MAPTFAAHLMNA | |
| SCHEMBL17079750 | 0.88 | ZDHHC7 (0.43) | ZDHHC7MAPTFAAHLMNA | |
| SCHEMBL21646318 | 0.88 | ZDHHC7 (0.43) | ZDHHC7MAPTFAAHLMNA | |
| SCHEMBL1325862 | 0.86 | ZDHHC7 (0.41) | TSHRZDHHC7MAPTFAAHALDH1A1 | |
| SCHEMBL18672208 | 0.84 | ZDHHC7 (0.56) | EPHX1ZDHHC7MAPTFAAHLMNA | |
| SCHEMBL9118810 | 0.83 | USP2 (0.45) | NAAAEPHX1TSHRMAPT | |
| SCHEMBL13301859 | 0.83 | RARB (0.32) | LMNA | |
| SCHEMBL9340085 | 0.81 | MAPT (0.47) | NAAAEPHX1TSHRZDHHC7MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-104961746-A | Quinoid near infrared fluorescent compound and preparation method and application thereof | CHINESE ACAD INST CHEMISTRY | 2015-10-07 | — | — | CN | disclosed |