Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT2B7 | P16662 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2491495 | 1.00 | UGT2B7 (0.65) | UGT2B7MEN1KMT2AHIF1ACYP1A2 | |
| SCHEMBL6885490 | 1.00 | UGT2B7 (0.65) | UGT2B7MEN1KMT2AHIF1ACYP1A2 | |
| Naphthalene SCHEMBL9636781 | 0.95 | UGT2B7 (0.71) | UGT2B7MEN1KMT2AHIF1ACYP1A2 | |
| SCHEMBL29555341 | 0.95 | UGT2B7 (0.71) | UGT2B7MEN1KMT2AHIF1ACYP1A2 | |
| SCHEMBL9179436 | 0.95 | UGT2B7 (0.71) | UGT2B7MEN1KMT2AHIF1ACYP1A2 | |
| SCHEMBL30928206 | 0.95 | UGT2B7 (0.71) | UGT2B7MEN1KMT2AHIF1ACYP1A2 | |
| SCHEMBL599956 | 0.95 | UGT2B7 (0.71) | UGT2B7MEN1KMT2AHIF1ACYP1A2 | |
| Naphthalene SCHEMBL29078859 | 0.95 | UGT2B7 (0.71) | UGT2B7MEN1KMT2AHIF1ACYP1A2 | |
| Water SCHEMBL9839828 | 0.93 | UGT2B7 (0.68) | UGT2B7MEN1KMT2AHIF1ACYP1A2 | |
| Lithium SCHEMBL31073549 | 0.93 | UGT2B7 (0.68) | UGT2B7MEN1KMT2AHIF1ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020155595-A1 | AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR | 清华大学 | 2020-08-06 | — | — | WO | disclosed |