Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25021 | 0.95 | ALDH1A1 (0.50) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL534952 | 0.84 | HPRT1 (0.58) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL2407426 | 0.81 | ALDH1A1 (0.35) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL17352711 | 0.81 | ALDH1A1 (0.61) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL1587165 | 0.80 | ALDH1A1 (0.35) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL455974 | 0.80 | HSD17B10 (0.44) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL1067478 | 0.80 | ALDH1A1 (0.54) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL2412903 | 0.80 | HPRT1 (0.41) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL512301 | 0.78 | ALDH1A1 (0.32) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL2407703 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5451563-A | Agricultural use, wheat, rice, tomatoes, pyridine, pyrimidine, pyrazine, pyridazine derivatives | ROHM AND HAAS COMPANY (US) | 1995-09-19 | — | — | US | disclosed |