Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.60 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | METAP1 | P53582 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13891933 | 0.87 | CYP19A1 (0.58) | CYP19A1MAOBMETAP1ALDH1A1ALDH2 | |
| SCHEMBL14939619 | 0.84 | SLC6A2 (0.52) | CYP19A1MAOBMETAP1SLC6A2SLC6A4 | |
| SCHEMBL10649546 | 0.83 | CYP19A1 (0.47) | CYP19A1METAP1KDM4E | |
| SCHEMBL14939233 | 0.82 | METAP1 (0.45) | CYP19A1MAOBMETAP1ALDH1A1ALDH2 | |
| SCHEMBL14939294 | 0.81 | CYP19A1 (0.55) | CYP19A1METAP1SIRT2 | |
| SCHEMBL14940109 | 0.81 | CYP19A1 (0.55) | CYP19A1MAOBSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9146594 | 0.80 | CYP19A1 (0.63) | CYP19A1MAOBMETAP1ALDH1A1SLC6A2 | |
| SCHEMBL2920960 | 0.80 | CYP19A1 (0.56) | CYP19A1MAOBMETAP1ALDH1A1ACHE | |
| SCHEMBL14939220 | 0.79 | CYP19A1 (0.59) | CYP19A1METAP1ALDH1A1ALDH2ACHE | |
| SCHEMBL30785363 | 0.79 | ACHE (0.55) | CYP19A1METAP1ACHE |
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 |