Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | VDR | P11473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6005578 | 0.92 | ALDH1A1 (0.49) | ALDH1A1CA12CA9BCHEACHE | |
| SCHEMBL4655851 | 0.89 | LMNA (0.44) | ALDH1A1PKMVDRHTTSMN1; SMN2 | |
| SCHEMBL18092988 | 0.87 | ALDH1A1 (0.45) | ALDH1A1PKMVDRHTTSMN1; SMN2 | |
| SCHEMBL18092987 | 0.87 | ALDH1A1 (0.45) | ALDH1A1PKMVDRHTTSMN1; SMN2 | |
| SCHEMBL1463518 | 0.85 | PKM (0.51) | ALDH1A1PKMVDRHTTSMN1; SMN2 | |
| SCHEMBL1464675 | 0.85 | PKM (0.51) | ALDH1A1PKMVDRHTTSMN1; SMN2 | |
| SCHEMBL1463520 | 0.85 | PKM (0.51) | ALDH1A1PKMVDRHTTSMN1; SMN2 | |
| SCHEMBL25403099 | 0.84 | ALDH1A1 (0.45) | ALDH1A1PKMVDRHTTSMN1; SMN2 | |
| SCHEMBL6007086 | 0.83 | PARL (0.40) | ALDH1A1PKMVDRHTTSMN1; SMN2 | |
| SCHEMBL9666809 | 0.82 | ALDH1A1 (0.39) | ALDH1A1PKMVDRHTTSMN1; SMN2 |
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-1009405-A4 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2001-05-09 | — | — | EP | disclosed |
| US-6166037-A | Pyrrolidine and piperidine modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2000-12-26 | — | — | US | disclosed |
| EP-1009405-A1 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2000-06-21 | — | — | EP | disclosed |
| WO-1999009984-A1 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1999-03-04 | — | — | WO | disclosed |