Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | CPB1 | P15086 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 3/20 | 0.40 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL5029280 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CPB1KDM1ARCOR1 | |
| SCHEMBL5029286 | 0.86 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CPB1KDM1ARCOR1 | |
| SCHEMBL5031889 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CPB1KDM1ARCOR1 | |
| SCHEMBL5031885 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CPB1KDM1ARCOR1 | |
| Trifluoroacetic Acid SCHEMBL5030519 | 0.83 | CCR2 (0.53) | ALDH1A1CYP3A4CCR2CCR3CYP2D6 | |
| SCHEMBL5027188 | 0.81 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CPB1KDM1ARCOR1 | |
| SCHEMBL5027183 | 0.81 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CPB1KDM1ARCOR1 | |
| SCHEMBL31650770 | 0.77 | CPB1 (0.51) | ALDH1A1CPB1KDM1ATSHRGAA | |
| SCHEMBL17506913 | 0.77 | ALDH1A1 (0.56) | ALDH1A1CPB1KCNH2TSHRGAA | |
| SCHEMBL5030515 | 0.76 | CPB1 (0.50) | ALDH1A1CYP3A4CPB1TSHRGAA |
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-7378409-B2 | Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-27 | — | — | US | disclosed |