Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17384097 | 1.00 | HPRT1 (0.58) | HPRT1ALDH1A1TDP1HSD17B10CYP2A6 | |
| SCHEMBL548120 | 1.00 | HPRT1 (0.58) | HPRT1ALDH1A1TDP1HSD17B10CYP2A6 | |
| Furan SCHEMBL28204424 | 0.89 | HPRT1 (0.47) | HPRT1ALDH1A1TDP1HSD17B10CYP2A6 | |
| Pyridine SCHEMBL28268794 | 0.88 | HPRT1 (0.45) | HPRT1ALDH1A1TDP1HSD17B10CYP2A6 | |
| SCHEMBL9005 | 0.87 | MEN1 (0.57) | ALDH1A1TDP1HSD17B10CYP2A6TSHR | |
| SCHEMBL35849993 | 0.87 | MEN1 (0.57) | ALDH1A1TDP1HSD17B10CYP2A6TSHR | |
| SCHEMBL30363267 | 0.86 | ALDH1A1 (0.54) | HPRT1ALDH1A1TDP1HSD17B10CYP2A6 | |
| SCHEMBL29470186 | 0.86 | ALDH1A1 (0.54) | HPRT1ALDH1A1TDP1HSD17B10CYP2A6 | |
| SCHEMBL14236880 | 0.86 | HPRT1 (0.52) | HPRT1ALDH1A1TDP1HSD17B10CYP2A6 | |
| SCHEMBL10625571 | 0.86 | HSD17B10 (0.48) | HPRT1ALDH1A1TDP1HSD17B10CYP2A6 |
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-1789395-A | Tibetan herb dracocephalum heterophyllum essential oil with bacteria inhibiting and/or killing functions | UNIV LANZHOU (CN) | 2006-06-21 | — | — | CN | disclosed |