Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11511728 | 0.84 | ALDH1A1 (0.46) | ESR1THRATHRBCYP19A1ALDH1A1 | |
| SCHEMBL28786634 | 0.80 | CYP19A1 (0.40) | ESR1THRATHRBCYP19A1ALDH1A1 | |
| SCHEMBL462104 | 0.78 | CYP19A1 (0.56) | ESR1THRATHRBCYP19A1ALDH1A1 | |
| SCHEMBL461143 | 0.78 | CYP19A1 (0.56) | ESR1THRATHRBCYP19A1ALDH1A1 | |
| SCHEMBL17208973 | 0.77 | GRIN2D (0.49) | ESR1THRATHRBCYP19A1CYSLTR2 | |
| SCHEMBL9699858 | 0.76 | CYP19A1 (0.58) | THRATHRBCYP19A1ALDH1A1CYSLTR2 | |
| SCHEMBL27719953 | 0.76 | CYP19A1 (0.58) | THRATHRBCYP19A1ALDH1A1CYSLTR2 | |
| SCHEMBL23499773 | 0.76 | ALDH1A1 (0.51) | ALDH1A1GPR35KDM4EMAPTL3MBTL1 | |
| SCHEMBL17817211 | 0.75 | ESR1 (0.56) | ESR1THRATHRBALDH1A1GPR35 | |
| SCHEMBL22342651 | 0.74 | CYP19A1 (0.60) | ESR1THRATHRBCYP19A1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3229811-B1 | PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS | GRI BIO INC (US) | 2021-02-24 | — | — | EP | disclosed |