Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1389124 | 0.88 | RXRA (0.44) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL251216 | 0.88 | RXRA (0.44) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL28650536 | 0.87 | HSD17B10 (0.50) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL2701066 | 0.84 | HPRT1 (0.58) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL75829 | 0.84 | HPRT1 (0.58) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL22288140 | 0.79 | HPRT1 (0.64) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL5520716 | 0.77 | BACE1 (0.41) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| Phenanthrene SCHEMBL2963532 | 0.76 | ALDH1A1 (0.71) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL548120 | 0.76 | HPRT1 (0.58) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL7896695 | 0.76 | HPRT1 (0.58) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1251859-A1 | NOVEL COMPOUNDS | Xylogen AB (SE) | 2002-10-30 | — | — | EP | disclosed |
| WO-2001054702-A1 | NOVEL COMPOUNDS | XYLOGEN AB (SE) | 2001-08-02 | — | — | WO | disclosed |