Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CPB1 | P15086 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | TLR4 | O00206 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 2/20 | 0.44 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3738767 | 1.00 | ALDH1A1 (0.55) | ALDH1A1GAACPB1TSHRTLR4 | |
| SCHEMBL3738774 | 1.00 | ALDH1A1 (0.55) | ALDH1A1GAACPB1TSHRTLR4 | |
| SCHEMBL5033689 | 0.87 | CPB1 (0.56) | ALDH1A1GAACPB1TSHRTLR4 | |
| SCHEMBL5033687 | 0.87 | CPB1 (0.56) | ALDH1A1GAACPB1TSHRTLR4 | |
| SCHEMBL5027125 | 0.87 | ALDH1A1 (0.52) | ALDH1A1GAACPB1TSHRTLR4 | |
| SCHEMBL3748161 | 0.87 | ALDH1A1 (0.52) | ALDH1A1GAACPB1TSHRTLR4 | |
| SCHEMBL3733857 | 0.87 | ALDH1A1 (0.52) | ALDH1A1GAACPB1TSHRTLR4 | |
| SCHEMBL3733860 | 0.87 | ALDH1A1 (0.52) | ALDH1A1GAACPB1TSHRTLR4 | |
| SCHEMBL27667807 | 0.87 | ALDH1A1 (0.52) | ALDH1A1GAACPB1TSHRTLR4 | |
| SCHEMBL5769816 | 0.86 | CPB1 (0.53) | ALDH1A1GAACPB1TSHRTLR4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1656138-A4 | SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2007-04-18 | — | — | EP | disclosed |
| EP-1656138-A2 | SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005020899-A2 | SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-03-10 | — | — | WO | disclosed |