Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB1 | P15086 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | TLR4 | O00206 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3742510 | 1.00 | CPB1 (0.53) | CPB1ALDH1A1GAATSHREPHX1 | |
| SCHEMBL3742514 | 1.00 | CPB1 (0.53) | CPB1ALDH1A1GAATSHREPHX1 | |
| SCHEMBL5029620 | 0.90 | ALDH1A1 (0.48) | CPB1ALDH1A1GAATSHREPHX1 | |
| SCHEMBL5029618 | 0.90 | ALDH1A1 (0.48) | CPB1ALDH1A1GAATSHREPHX1 | |
| SCHEMBL3731312 | 0.89 | CPB1 (0.50) | CPB1ALDH1A1GAATSHREPHX1 | |
| SCHEMBL3731309 | 0.89 | CPB1 (0.50) | CPB1ALDH1A1GAATSHREPHX1 | |
| SCHEMBL5769696 | 0.89 | CPB1 (0.50) | CPB1ALDH1A1GAATSHREPHX1 | |
| SCHEMBL3738774 | 0.86 | ALDH1A1 (0.55) | CPB1ALDH1A1GAATSHREPHX1 | |
| SCHEMBL5227953 | 0.86 | ALDH1A1 (0.55) | CPB1ALDH1A1GAATSHREPHX1 | |
| SCHEMBL3738767 | 0.86 | ALDH1A1 (0.55) | CPB1ALDH1A1GAATSHREPHX1 |
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-1656345-A1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005021500-A1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-03-10 | — | — | WO | disclosed |