Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.70 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.64 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.52 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29389852 | 0.98 | CYP1A2 (0.73) | CYP1A2HPRT1TRPM4HSD17B10ALDH1A1 | |
| SCHEMBL29689075 | 0.98 | CYP1A2 (0.73) | CYP1A2HPRT1TRPM4HSD17B10ALDH1A1 | |
| SCHEMBL3165943 | 0.98 | CYP1A2 (0.73) | CYP1A2HPRT1TRPM4HSD17B10ALDH1A1 | |
| SCHEMBL218498 | 0.98 | CYP1A2 (0.73) | CYP1A2HPRT1TRPM4HSD17B10ALDH1A1 | |
| SCHEMBL27519636 | 0.98 | CYP1A2 (0.73) | CYP1A2HPRT1TRPM4HSD17B10ALDH1A1 | |
| SCHEMBL30721806 | 0.98 | CYP1A2 (0.73) | CYP1A2HPRT1TRPM4HSD17B10ALDH1A1 | |
| Toluene SCHEMBL27304709 | 0.86 | CYP1A2 (0.57) | CYP1A2HPRT1TRPM4HSD17B10ALDH1A1 | |
| 1-Naphthol SCHEMBL8119253 | 0.85 | CYP1A2 (0.94) | CYP1A2TRPM4HSD17B10ALDH1A1TDP1 | |
| 1-Naphthol SCHEMBL11414667 | 0.85 | CYP1A2 (0.94) | CYP1A2TRPM4HSD17B10ALDH1A1TDP1 | |
| 1-Naphthol SCHEMBL9292016 | 0.85 | CYP1A2 (0.94) | CYP1A2TRPM4HSD17B10ALDH1A1TDP1 |
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-102395584-A | Compounds for the treatment of metabolic disorders | PROSIDION LTD | 2012-03-28 | — | — | CN | disclosed |