Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2729130 | 0.86 | CES1 (0.46) | KCNN4CYP2C19HIF1ACYP1A2CHRM2 | |
| SCHEMBL17653676 | 0.85 | CYP2D6 (0.43) | KCNN4CYP2C19HIF1ACYP1A2CHRM2 | |
| SCHEMBL17653674 | 0.85 | CYP2D6 (0.43) | KCNN4CYP2C19HIF1ACYP1A2CHRM2 | |
| Hydrochloric Acid SCHEMBL6519090 | 0.83 | CHRM2 (0.45) | KCNN4CYP2C19HIF1ACYP1A2CHRM2 | |
| SCHEMBL868096 | 0.83 | CES1 (0.51) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| SCHEMBL29214674 | 0.82 | CHRM2 (0.40) | KCNN4CYP2C19HIF1ACYP1A2CHRM2 | |
| SCHEMBL27677244 | 0.82 | GLA (0.42) | KCNN4CYP2C19HIF1ACYP1A2CHRM2 | |
| SCHEMBL4130175 | 0.80 | ALDH1A1 (0.44) | MAPTALDH1A1KMT2ATSHRMEN1 | |
| SCHEMBL29214710 | 0.78 | ALDH1A1 (0.43) | CYP2C19HIF1ACHRM2CHRM1CHRM3 | |
| SCHEMBL18901487 | 0.77 | CES1 (0.44) | KCNN4CYP2C19HIF1ACHRM2CHRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1171122-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6248755-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES | MERCK & CO., INC. | 2001-06-19 | — | — | US | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |