Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.43 |
| ▸ | TUBB | P07437 | 1/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.43 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2906435 | 0.76 | CYP2A6 (0.54) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL12159981 | 0.74 | CYP2A6 (0.52) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL10932223 | 0.74 | MAPT (0.42) | APPALDH1A1ALOX15HSD17B10KDM4E | |
| SCHEMBL10932225 | 0.74 | MAPT (0.42) | APPALDH1A1ALOX15HSD17B10KDM4E | |
| SCHEMBL28865533 | 0.74 | CYP2A6 (0.58) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL2905653 | 0.74 | CYP2A6 (0.52) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL2287959 | 0.73 | TRPA1 (0.41) | CYP2A6ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL4232719 | 0.73 | TRPA1 (0.41) | CYP2A6ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL4447291 | 0.73 | TRPA1 (0.41) | CYP2A6ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL4363036 | 0.72 | CYP2A6 (0.50) | CYP2A6CYP2A13APPALDH1A1ALOX15 |
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-4474868-A | ORGANIC PEROXIDE AND COMPOUND CONTAINING CATIONIC OXYGEN, SULFUR OXYGEN,SULFUR OR SELENIUM | NIPPON OIL AND FATS CO., LTD. (JP) | 1984-10-02 | — | — | US | disclosed |