Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 4/20 | 0.66 |
| ▸ | ACLY | P53396 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | APEX1 | P27695 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | ESR1 | P03372 | 2/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.61 |
| ▸ | GMNN | O75496 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL30505262 | 0.85 | ELANE (0.71) | ELANEACLYMAPTALDH1A1MEN1 | |
| SCHEMBL30800495 | 0.80 | MAPT (0.73) | ELANEACLYMAPTALDH1A1MEN1 | |
| SCHEMBL17867367 | 0.80 | MAPT (0.73) | ELANEACLYMAPTALDH1A1MEN1 | |
| SCHEMBL29390162 | 0.79 | ESR1 (0.77) | ELANEMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL5968219 | 0.79 | ESR1 (0.77) | ELANEMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL23199115 | 0.79 | ELANE (0.62) | ELANEACLYMAPTALDH1A1MEN1 | |
| SCHEMBL16226740 | 0.79 | ELANE (0.62) | ELANEACLYMAPTALDH1A1MEN1 | |
| SCHEMBL29359585 | 0.79 | ELANE (0.62) | ELANEACLYMAPTALDH1A1MEN1 | |
| SCHEMBL29714518 | 0.78 | ELANE (0.74) | ELANEACLYMAPTALDH1A1MEN1 | |
| Emodin SCHEMBL177689 | 0.76 | ELANE (1.00) | ELANEACLYMAPTALDH1A1MEN1 |
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-102391095-B | Emodin derivative and application thereof | WESTERN CHINA HOSPITAL SCU | 2013-10-30 | — | — | CN | disclosed |
| CN-102391095-A | Emodin derivative and application thereof | WESTERN CHINA HOSPITAL SCU | 2012-03-28 | — | — | CN | disclosed |