Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 14/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3886476 | 0.76 | SLC6A9 (0.46) | ALDH1A1LMNASLC6A9CYP1A2CYP2C9 | |
| SCHEMBL3889138 | 0.75 | ALDH1A1 (0.44) | ALDH1A1LMNASLC6A9CYP1A2CYP2C9 | |
| SCHEMBL8278195 | 0.73 | SLC6A9 (0.42) | ALDH1A1LMNASLC6A9CYP1A2CYP2C9 | |
| SCHEMBL5507150 | 0.71 | ALDH1A1 (0.44) | ALDH1A1CYP2C9 | |
| SCHEMBL5504640 | 0.69 | ALDH1A1 (0.46) | ALDH1A1LMNASLC6A9CYP1A2CYP2C9 | |
| SCHEMBL3893114 | 0.68 | SLC6A9 (0.79) | SLC6A9 | |
| SCHEMBL4547019 | 0.66 | ALDH1A1 (0.61) | ALDH1A1LMNASLC6A9CYP1A2CYP2C9 | |
| SCHEMBL40197 | 0.61 | SMN1; SMN2 (0.47) | ALDH1A1LMNA | |
| SCHEMBL1981202 | 0.60 | — | — | |
| SCHEMBL6277369 | 0.59 | ALDH1A1 (0.56) | ALDH1A1LMNASLC6A9CYP1A2GAA |
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 |