Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.35 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8367502 | 0.87 | ESR1 (0.44) | CYP3A4ALDH1A1ESR2ESR1NR3C2 | |
| SCHEMBL28041166 | 0.87 | SHBG (0.46) | SHBGCYP3A4ALDH1A1ESR2ESR1 | |
| SCHEMBL8367500 | 0.86 | CYP3A4 (0.40) | CYP3A4ALDH1A1ESR2ESR1NR3C2 | |
| SCHEMBL11039751 | 0.84 | SHBG (0.42) | SHBGCYP3A4ALDH1A1ESR1PGAM1 | |
| SCHEMBL8369740 | 0.84 | CNR2 (0.41) | CNR1CNR2 | |
| SCHEMBL27375601 | 0.83 | SHBG (0.40) | SHBGCYP3A4ALDH1A1ESR2ESR1 | |
| SCHEMBL8369553 | 0.81 | ESR2 (0.44) | CYP3A4ALDH1A1ESR2ESR1NR3C2 | |
| SCHEMBL5143831 | 0.81 | SHBG (0.38) | SHBGCYP3A4ALDH1A1ESR2ESR1 | |
| SCHEMBL8368669 | 0.81 | SHBG (0.47) | SHBGCYP3A4ALDH1A1ESR1PGAM1 | |
| SCHEMBL22080754 | 0.80 | SHBG (0.37) | SHBGCYP3A4ALDH1A1ESR2ESR1 |
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 2 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 |