Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4666797 | 1.00 | TSHR (0.42) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL6556198 | 0.85 | TSHR (0.46) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| Pivalate SCHEMBL27669731 | 0.85 | TSHR (0.36) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| Pivalate SCHEMBL29249466 | 0.85 | TSHR (0.36) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| Alcohol SCHEMBL6689651 | 0.85 | TSHR (0.50) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL26766 | 0.84 | — | — | |
| SCHEMBL181160 | 0.84 | TSHR (0.55) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL4905958 | 0.82 | — | — | |
| SCHEMBL14518179 | 0.82 | — | — | |
| Bicarbonate SCHEMBL8777834 | 0.82 | FFAR3 (0.37) | TSHRHIF1AALDH1A1MEN1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116453603-A | Method for constructing quantitative structure-activity relationship between molecular structure and salt tolerance of dendritic polymer and application | 中国石油化工股份有限公司 | 2023-07-18 | — | — | CN | disclosed |
| EP-0963390-A1 | PHOTOCHROMIC POLYURETHANE COATING AND ARTICLES HAVING SUCH A COATING | PPG Industries Ohio, Inc. (US) | 1999-12-15 | — | — | EP | disclosed |
| WO-1998037115-A1 | PHOTOCHROMIC POLYURETHANE COATING AND ARTICLES HAVING SUCH A COATING | PPG INDUSTRIES OHIO, INC. (US) | 1998-08-27 | — | — | WO | disclosed |