Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | ANO1 | Q5XXA6 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4654446 | 0.77 | RXRA (0.47) | SLC6A3RXRARXRBRXRGSLC6A2 | |
| SCHEMBL9588707 | 0.73 | CA1 (0.43) | RXRARXRBRXRGALDH1A1L3MBTL1 | |
| SCHEMBL6284651 | 0.73 | DHODH (0.41) | ALDH1A1FFAR1 | |
| SCHEMBL5067351 | 0.70 | SLC6A4 (0.32) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL12473634 | 0.68 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1S1PR1HSD11B1TRPA1 | |
| SCHEMBL8981759 | 0.68 | HTR1B (0.42) | ALDH1A1L3MBTL1 | |
| SCHEMBL21224620 | 0.67 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL20149678 | 0.67 | GAA (0.38) | SLC6A3DRD2RXRARXRBRXRG | |
| SCHEMBL4800503 | 0.67 | RXRA (0.41) | SLC6A3RXRARXRBRXRGSLC6A2 | |
| SCHEMBL225016 | 0.67 | CA2 (0.50) | RXRARXRBRXRGALDH1A1L3MBTL1 |
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-1115694-A1 | SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | Monsanto Company (US) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000018723-A1 | SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | MONSANTO COMPANY (US) | 2000-04-06 | — | — | WO | disclosed |