Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6503513 | 0.81 | SLC6A3 (0.69) | SLC6A3CA1CA2ALDH1A1SMN1; SMN2 | |
| SCHEMBL18270474 | 0.80 | SLC6A3 (0.51) | SLC6A3CA1CA2ALDH1A1SMN1; SMN2 | |
| SCHEMBL9064006 | 0.79 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2HPGDKDM4EMAPT | |
| SCHEMBL20475213 | 0.77 | SLC6A3 (0.46) | SLC6A3CA1CA2ALDH1A1SMN1; SMN2 | |
| SCHEMBL2043183 | 0.72 | CA1 (0.87) | CA1CA2ALDH1A1SMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL6705880 | 0.71 | CA1 (0.83) | CA1CA2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL1416251 | 0.70 | SMN1; SMN2 (0.54) | CA1CA2ALDH1A1SMN1; SMN2KDM4E | |
| 1,4-Dimethoxybenzene SCHEMBL28051166 | 0.70 | CA1 (0.68) | CA1CA2SMN1; SMN2MAPTNPC1 | |
| Bicarbonate SCHEMBL28112150 | 0.70 | CES2 (0.61) | CA1CA2ALDH1A1KDM4ENPC1 | |
| Anisole SCHEMBL28825751 | 0.69 | CA4 (0.50) | CA1CA2ALDH1A1SMN1; SMN2MAPT |
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-0263492-B1 | RETINOIDS, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 1991-03-13 | — | — | EP | claimed |
| EP-0263492-A1 | Retinoids, their preparation and use as pharmaceutical compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1988-04-13 | — | — | EP | claimed |