Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | UGT2B7 | P16662 | 2/20 | 0.37 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7497018 | 0.95 | ALDH1A1 (0.53) | ALDH1A1TP53SLC22A6SMN1; SMN2LMNA | |
| SCHEMBL3864316 | 0.93 | ALDH1A1 (0.57) | ALDH1A1TP53SLC22A6SMN1; SMN2LMNA | |
| SCHEMBL3864310 | 0.93 | ALDH1A1 (0.57) | ALDH1A1TP53SLC22A6SMN1; SMN2LMNA | |
| SCHEMBL5575741 | 0.93 | ALDH1A1 (0.57) | ALDH1A1TP53SLC22A6SMN1; SMN2LMNA | |
| SCHEMBL8393221 | 0.90 | — | — | |
| SCHEMBL6677988 | 0.90 | — | — | |
| SCHEMBL21245055 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TP53SLC22A6SMN1; SMN2LMNA | |
| SCHEMBL29951463 | 0.74 | ALDH1A1 (0.52) | ALDH1A1SLC22A6LMNAGABRR1TDP1 | |
| SCHEMBL29955709 | 0.74 | ALDH1A1 (0.52) | ALDH1A1SLC22A6LMNAGABRR1TDP1 | |
| SCHEMBL27598543 | 0.74 | ALDH1A1 (0.47) | ALDH1A1SLC22A6SMN1; SMN2TDP1 |
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-1173170-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1173170-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000059503-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |