Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12326164 | 0.75 | ALDH1A1 (0.59) | ALDH1A1PTPN1CYP3A4FFAR4HPGD | |
| SCHEMBL26201031 | 0.73 | ALDH1A1 (0.42) | ALDH1A1PTPN1RAPGEF4CYP3A4FFAR4 | |
| SCHEMBL10051168 | 0.69 | ACHE (0.46) | ALDH1A1PTPN1CYP3A4HPGDKDM4E | |
| SCHEMBL22106546 | 0.69 | ALDH1A1 (0.50) | ALDH1A1PTPN1CYP3A4FFAR4HPGD | |
| SCHEMBL26201058 | 0.68 | ALDH1A1 (0.43) | ALDH1A1PTPN1RAPGEF4CYP3A4FFAR4 | |
| SCHEMBL13898103 | 0.68 | ALDH1A1 (0.43) | ALDH1A1PTPN1RAPGEF4CYP3A4FFAR4 | |
| SCHEMBL12501 | 0.67 | ALDH1A1 (0.73) | ALDH1A1PTPN1CYP3A4HPGDMAPT | |
| SCHEMBL145855 | 0.67 | ALDH1A1 (0.62) | ALDH1A1PTPN1CYP3A4HPGDMAPT | |
| SCHEMBL15120000 | 0.67 | ALDH1A1 (0.52) | ALDH1A1CYP3A4HPGDKDM4EELANE | |
| SCHEMBL19500036 | 0.67 | ACHE (0.52) | ALDH1A1RAPGEF4FFAR4MAPTGABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20230280275-A1 | PHOTOACTIVATABLE VIBRATIONAL PROBES AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2023-09-07 | — | — | US | disclosed |