Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 9/20 | 0.57 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939611 | 0.86 | CYP19A1 (0.55) | CYP19A1HTR2BMAPK1NOS3NOS2 | |
| SCHEMBL14939008 | 0.83 | CYP19A1 (0.52) | CYP19A1TP53CYP3A4MAPTMAPK1 | |
| SCHEMBL14940296 | 0.81 | CYP19A1 (0.41) | CYP19A1MAPK1NOS3NOS2ACHE | |
| SCHEMBL14939420 | 0.80 | CYP19A1 (0.45) | CYP19A1HTR2BLMNATP53CYP1A2 | |
| SCHEMBL5951729 | 0.80 | CYP19A1 (0.45) | CYP19A1HTR2BLMNATP53CYP1A2 | |
| SCHEMBL4742707 | 0.80 | ACHE (0.60) | CYP19A1HTR2BLMNATP53CYP1A2 | |
| SCHEMBL14939087 | 0.78 | CYP19A1 (0.43) | CYP19A1TP53NOS3NOS2ACHE | |
| SCHEMBL1582845 | 0.78 | CYP19A1 (0.43) | CYP19A1HTR2BLMNATP53CYP1A2 | |
| SCHEMBL14939214 | 0.78 | ACHE (0.62) | CYP19A1LMNAMAPTACHE | |
| SCHEMBL16556014 | 0.75 | ACHE (0.41) | CYP19A1HTR2BMAPK1NOS3NOS2 |
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 |