Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL29834189 | 0.74 | ESR1 (0.56) | ADORA2ANPC1RAB9AMAOAESR1 | |
| SCHEMBL601251 | 0.74 | ESR1 (0.56) | ADORA2ANPC1RAB9AMAOAESR1 | |
| SCHEMBL16633300 | 0.72 | MAOA (0.46) | APPCCNE2CCNE1CDK2ENPP1 | |
| SCHEMBL1124687 | 0.69 | NR1H2 (0.68) | — | |
| SCHEMBL29253732 | 0.67 | CYP1A2 (0.53) | APPADORA2ACYP3A4CYP1A2CYP2D6 | |
| SCHEMBL27651468 | 0.65 | ESR1 (0.51) | NPC1RAB9AMAOAESR1KDM4E | |
| SCHEMBL31326856 | 0.65 | TLR7 (0.50) | APPBACE1CCNE2CCNE1CDK2 | |
| SCHEMBL28027243 | 0.65 | ENPP1 (0.48) | ENPP1ESR1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL31326858 | 0.65 | TLR7 (0.50) | APPBACE1CCNE2CCNE1CDK2 | |
| SCHEMBL12337344 | 0.64 | MAOA (0.64) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2284157-A1 | Quinolines useful in treating cardiovascular disease | Wyeth (US) | 2011-02-16 | — | — | EP | disclosed |