Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5521172 | 0.80 | ALDH1A1 (0.46) | ALDH1A1KDM4ECYP3A4HIF1AOPRM1 | |
| SCHEMBL5502867 | 0.79 | OPRM1 (0.45) | ALDH1A1KDM4ECYP3A4HIF1AOPRM1 | |
| SCHEMBL3892551 | 0.76 | ALDH1A1 (0.49) | ALDH1A1KDM4ECYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5532770 | 0.75 | ALDH1A1 (0.46) | ALDH1A1KDM4ECYP3A4OPRM1OPRD1 | |
| SCHEMBL5501250 | 0.71 | ALDH1A1 (0.41) | ALDH1A1CYP2C9 | |
| SCHEMBL1189507 | 0.70 | ALDH1A1 (0.49) | ALDH1A1KDM4ECYP3A4OPRM1OPRD1 | |
| SCHEMBL4396480 | 0.68 | KMT2A (0.45) | ALDH1A1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL4877828 | 0.67 | CYP3A4 (0.47) | ALDH1A1CYP3A4HIF1AOPRM1OPRD1 | |
| SCHEMBL4388704 | 0.66 | KMT2A (0.43) | ALDH1A1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL3887165 | 0.65 | ALDH1A1 (0.46) | ALDH1A1KDM4ECYP3A4OPRM1OPRD1 |
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 |