Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 10/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939087 | 0.93 | CYP19A1 (0.43) | CYP19A1ACHEALOX15ALOX12NOS3 | |
| SCHEMBL14939008 | 0.90 | CYP19A1 (0.52) | CYP19A1ACHEALOX15ALOX12NOS3 | |
| SCHEMBL14940317 | 0.81 | CYP19A1 (0.57) | CYP19A1ACHENOS3NOS2MAPK1 | |
| SCHEMBL14939611 | 0.81 | CYP19A1 (0.55) | CYP19A1NOS3NOS2MAPK1MEN1 | |
| SCHEMBL14939185 | 0.75 | ACHE (0.51) | CYP19A1ACHEMEN1KMT2A | |
| SCHEMBL6472550 | 0.73 | ACHE (0.66) | CYP19A1ACHENOS3NOS2MAPK1 | |
| SCHEMBL14939812 | 0.72 | CYP19A1 (0.48) | CYP19A1ACHENOS3 | |
| SCHEMBL16556014 | 0.71 | ACHE (0.41) | CYP19A1ACHENOS3NOS2MAPK1 | |
| SCHEMBL8556821 | 0.69 | ACHE (0.40) | CYP19A1ACHENOS3NOS2MAPK1 | |
| SCHEMBL30666598 | 0.69 | ACHE (0.40) | CYP19A1ACHENOS3NOS2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |