Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 6/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 4/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.31 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL15256821 | 0.86 | TSHR (0.46) | TSHRALDH1A1KMT2ACYP2C19MEN1 | |
| SCHEMBL18859435 | 0.86 | HTR1B (0.34) | TSHRALDH1A1 | |
| SCHEMBL5932146 | 0.85 | MAPK1 (0.32) | — | |
| SCHEMBL15256849 | 0.84 | TSHR (0.48) | TSHRALDH1A1KMT2ACYP2C19MEN1 | |
| SCHEMBL15510820 | 0.82 | TSHR (0.40) | TSHRALDH1A1KMT2ACYP2C19MEN1 | |
| SCHEMBL13509577 | 0.79 | TSHR (0.46) | TSHRALDH1A1KMT2ACYP2C19MEN1 | |
| SCHEMBL18859432 | 0.78 | CYP2C19 (0.39) | TSHRKMT2ACYP2C19MEN1GLA | |
| SCHEMBL24621823 | 0.77 | ALDH1A1 (0.31) | TSHRALDH1A1CYP2C19CYP1A2KDM4E | |
| SCHEMBL29008545 | 0.75 | TSHR (0.55) | TSHRALDH1A1KMT2ACYP2C19MEN1 | |
| SCHEMBL20323710 | 0.75 | TSHR (0.34) | TSHRALDH1A1KDM4E |
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-2023288253-A1 | SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS) | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-01-19 | — | — | WO | disclosed |