Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 4/20 | 0.46 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ADH5 | P11766 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3772959 | 0.99 | XDH (0.45) | XDHAKT1TP53ALDH1A1CYP19A1 | |
| SCHEMBL3150879 | 0.91 | SLC22A12 (0.47) | XDHAKT1ALDH1A1SLC22A12 | |
| Hydrochloric Acid SCHEMBL3778977 | 0.90 | SLC22A12 (0.47) | XDHAKT1ALDH1A1SLC22A12 | |
| SCHEMBL3141790 | 0.81 | CHRNB2 (0.48) | XDH | |
| Hydrochloric Acid SCHEMBL3768153 | 0.81 | ALDH1A1 (0.41) | XDHTP53ALDH1A1CYP19A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL3773084 | 0.80 | CHRNB2 (0.47) | XDH | |
| SCHEMBL3145280 | 0.80 | CHRNB1 (0.49) | AKT1 | |
| SCHEMBL3150922 | 0.80 | CHRNB1 (0.49) | AKT1 | |
| SCHEMBL3151157 | 0.80 | CHRNB1 (0.49) | CYP2C9 | |
| SCHEMBL3147229 | 0.80 | CHRNB2 (0.49) | — |
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-1979321-B9 | NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SERVIER LAB (FR) | 2010-02-17 | — | — | EP | disclosed |
| EP-1979321-B1 | NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SERVIER LAB (FR) | 2009-07-29 | — | — | EP | disclosed |