Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL437289 | 0.82 | CYP2D6 (0.51) | CYP1A2CYP2A6TSHRCYP2D6ALDH1A1 | |
| SCHEMBL8415193 | 0.82 | CA2 (0.43) | CYP1A2CYP2A6TSHRCYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27863421 | 0.81 | CYP2D6 (0.50) | CYP1A2CYP2A6TSHRCYP2D6ALDH1A1 | |
| SCHEMBL2426275 | 0.81 | NR1I2 (0.41) | CYP1A2CYP2A6TSHRCYP2D6ALDH1A1 | |
| Potassium Ion SCHEMBL7030033 | 0.81 | CYP1A2 (0.40) | CYP1A2CYP2A6TSHRCYP2D6ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL11422698 | 0.81 | CYP2D6 (0.50) | CYP1A2CYP2A6TSHRCYP2D6ALDH1A1 | |
| SCHEMBL2343292 | 0.81 | L3MBTL1 (0.45) | CYP1A2CYP2D6ALDH1A1HPGDKDM4E | |
| Formaldehyde SCHEMBL3281234 | 0.79 | CYP2D6 (0.49) | CYP1A2CYP2A6TSHRCYP2D6ALDH1A1 | |
| Formaldehyde SCHEMBL2859235 | 0.78 | NR1I2 (0.39) | CYP1A2CYP2A6TSHRCYP2D6ALDH1A1 | |
| SCHEMBL2574159 | 0.78 | CYP2A6 (0.50) | CYP1A2CYP2A6TSHRALDH1A1HPGD |
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-4701565-A | REACTING ALCOHOL WITH ORGANIC SULFONYL HALIDE TO FORM SULFONATE, REACTING SULFONATE WITH A PHENOL | FUJI PHOTO FILM CO., LTD. (JP) | 1987-10-20 | — | — | US | disclosed |