Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL14940296 | 0.90 | CYP19A1 (0.41) | CYP19A1ALOX15ALOX12PBRM1ACHE | |
| SCHEMBL14939087 | 0.86 | CYP19A1 (0.43) | CYP19A1ALOX15ALOX12PBRM1TDP1 | |
| SCHEMBL14939611 | 0.85 | CYP19A1 (0.55) | CYP19A1L3MBTL1SIRT2MEN1KMT2A | |
| SCHEMBL14940317 | 0.83 | CYP19A1 (0.57) | CYP19A1ACHEKMT2AMAPTTP53 | |
| SCHEMBL14939220 | 0.78 | CYP19A1 (0.59) | CYP19A1ALOX15ALOX12TDP1L3MBTL1 | |
| SCHEMBL14939388 | 0.76 | CYP19A1 (0.48) | CYP19A1ALOX15ALOX12TDP1L3MBTL1 | |
| SCHEMBL6472550 | 0.72 | ACHE (0.66) | CYP19A1ACHEMAPK1HTR2CNOS3 | |
| SCHEMBL4742707 | 0.71 | ACHE (0.60) | CYP19A1ACHEKMT2AMAPTTP53 | |
| SCHEMBL14939619 | 0.70 | SLC6A2 (0.52) | CYP19A1ALOX15ALOX12L3MBTL1ACHE | |
| SCHEMBL16556014 | 0.70 | ACHE (0.41) | CYP19A1ACHEMAPK1HTR2CNOS3 |
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 |