Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.32 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.32 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.31 |
| ▸ | LDHA | P00338 | 1/20 | 0.31 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | G6PD | P11413 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8516783 | 0.90 | NQO1 (0.35) | ESR1ESR2CNR1CNR2NQO1 | |
| SCHEMBL8516486 | 0.89 | ALDH1A1 (0.37) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL8516633 | 0.80 | NQO1 (0.44) | ESR2NQO1ALDH1A1KMT2AMAPT | |
| SCHEMBL8369543 | 0.76 | ESR1 (0.40) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL8517228 | 0.75 | NQO1 (0.41) | NQO1ALDH1A1KMT2AMAPTTNNI3 | |
| SCHEMBL8516707 | 0.75 | TYR (0.39) | NQO1ALDH1A1KMT2AMAPTTNNI3 | |
| SCHEMBL8365871 | 0.74 | ESR1 (0.41) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL8370433 | 0.74 | ESR1 (0.41) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL8517037 | 0.74 | AURKA (0.44) | ESR1ESR2NQO1ALDH1A1CYP3A4 | |
| SCHEMBL8370449 | 0.73 | ESR1 (0.40) | ESR1ESR2CNR1CNR2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0714785-B1 | Sulfonated phenol (salt) containing color-developing agents and color-developing sheets | MITSUI CHEMICALS INC (JP) | 1999-01-07 | — | — | EP | disclosed |
| US-5647896-A | MULTIVALENT SALT OF A SALICYLIC ACID DERIVATIVE, SULFONATED PHENOL | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-07-15 | — | — | US | disclosed |
| EP-0714785-A1 | Sulfonated phenol (salt) containing color-developing agents and color-developing sheets | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1996-06-05 | — | — | EP | disclosed |