Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 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 | |
|---|---|---|---|---|
| SCHEMBL1904000 | 0.86 | GGPS1 (0.47) | MAOBMAOACYP19A1GGPS1CYP3A4 | |
| SCHEMBL27346370 | 0.81 | NOS1 (0.51) | GGPS1CYP3A4NOS1ALDH1A1 | |
| SCHEMBL27314752 | 0.78 | GGPS1 (0.43) | CYP19A1GGPS1ALDH1A1TP53AKR1C3 | |
| SCHEMBL8848832 | 0.78 | TAAR1 (0.47) | MAOBGGPS1ALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL2811400 | 0.78 | PRSS1 (0.44) | CYP19A1GGPS1NOS1PRSS1PRSS2 | |
| SCHEMBL27454646 | 0.78 | MAOB (0.52) | MAOBMAOACYP19A1CYP3A4CASP1 | |
| SCHEMBL3800542 | 0.77 | AKR1C3 (0.39) | CYP19A1GGPS1NOS1ALDH1A1PRSS1 | |
| SCHEMBL13189961 | 0.77 | GGPS1 (0.42) | MAOBMAOACYP19A1GGPS1CYP3A4 | |
| SCHEMBL9454043 | 0.77 | GGPS1 (0.42) | MAOBMAOACYP19A1GGPS1CYP3A4 | |
| SCHEMBL28041732 | 0.77 | CYP1A2 (0.44) | CYP19A1GGPS1AKR1C3AKR1C2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108047142-A | Heteroaryl compound and its purposes | 阿维拉制药公司 | 2018-05-18 | — | — | CN | disclosed |
| EP-2519235-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | Avila Therapeutics, Inc. (US) | 2012-11-07 | — | — | EP | disclosed |
| WO-2011090760-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2011-07-28 | — | — | WO | disclosed |