Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.37 |
| ▸ | USP2 | O75604 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5507150 | 0.80 | ALDH1A1 (0.44) | ALDH1A1KDM4EOPRD1OPRM1CYP3A4 | |
| SCHEMBL3892551 | 0.75 | ALDH1A1 (0.49) | ALDH1A1KDM4ECYP3A4POLBMAPT | |
| SCHEMBL5532770 | 0.74 | ALDH1A1 (0.46) | ALDH1A1KDM4ENPSR1GPR55OPRD1 | |
| SCHEMBL5502867 | 0.71 | OPRM1 (0.45) | ALDH1A1KDM4ENPSR1GPR55OPRD1 | |
| SCHEMBL1189507 | 0.67 | ALDH1A1 (0.49) | ALDH1A1KDM4ENPSR1GPR55OPRD1 | |
| SCHEMBL3887165 | 0.64 | ALDH1A1 (0.46) | ALDH1A1KDM4ENPSR1GPR55OPRD1 | |
| SCHEMBL2793637 | 0.64 | ALDH1A1 (0.67) | ALDH1A1KDM4EOPRD1OPRM1CYP3A4 | |
| SCHEMBL23856756 | 0.61 | CYP2D6 (0.47) | ALDH1A1NPSR1GPR55OPRD1OPRM1 | |
| SCHEMBL1244969 | 0.61 | NPSR1 (0.54) | ALDH1A1NPSR1GPR55OPRD1CYP3A4 | |
| SCHEMBL6523902 | 0.61 | CYP3A4 (0.52) | ALDH1A1KDM4ENPSR1CYP3A4MAPT |
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-1745018-A1 | AZETIDINE GLYCINE TRANSPORTER INHIBITORS | Merck & Co., Inc. (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005110983-A1 | AZETIDINE GLYCINE TRANSPORTER INHIBITORS | MERCK & CO., INC. (US) | 2005-11-24 | — | — | WO | disclosed |