Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPN1 | P15169 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GNAI3 | P08754 | 4/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.36 |
| ▸ | F2R | P25116 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14421995 | 0.89 | CPN1 (0.54) | CPN1CPB2CA1CA2GNAI3 | |
| Hydrochloric Acid SCHEMBL5570640 | 0.87 | CPN1 (0.53) | CPN1CPB2CA1CA2GNAI3 | |
| SCHEMBL7369426 | 0.82 | CPN1 (0.65) | CPN1CPB2CA2GNAI3GNAO1 | |
| SCHEMBL17373534 | 0.79 | CPN1 (0.44) | CPN1CPB2GNAI3GNAO1GNAI1 | |
| SCHEMBL17373535 | 0.79 | CPN1 (0.44) | CPN1CPB2GNAI3GNAO1GNAI1 | |
| Hydrochloric Acid SCHEMBL27565473 | 0.78 | CPN1 (0.42) | CPN1CPB2GNAI3GNAO1GNAI1 | |
| SCHEMBL3146467 | 0.78 | CA2 (0.56) | CA1CA2ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL27565472 | 0.78 | CPN1 (0.42) | CPN1CPB2GNAI3GNAO1GNAI1 | |
| SCHEMBL21551149 | 0.77 | CPN1 (0.45) | CPN1CPB2GNAI3GNAO1GNAI1 | |
| Hydrochloric Acid SCHEMBL2866647 | 0.76 | CPN1 (0.44) | CPN1CPB2GNAI3GNAO1GNAI1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004058702-A2 | 4-[(4-(CARBOXYETHYL) PIPERIDINYL) METHYL] PYRROLIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2004-07-15 | — | — | WO | disclosed |