Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14938956 | 0.87 | LMNA (0.43) | SRD5A1CA1CA2CA7CA9 | |
| SCHEMBL14938950 | 0.87 | SRD5A1 (0.36) | SRD5A1CA1CA2CA7CA9 | |
| SCHEMBL14939273 | 0.84 | LMNA (0.35) | SRD5A1CA1CA2CA7CA9 | |
| SCHEMBL14939614 | 0.82 | LMNA (0.37) | SRD5A1CA1CA2CA7CA9 | |
| SCHEMBL14938934 | 0.81 | LMNA (0.38) | KDM1ABACE1MAOB | |
| SCHEMBL14939329 | 0.78 | KDM1A (0.37) | KDM1ASRD5A1CA1CA2CA7 | |
| SCHEMBL14940155 | 0.74 | ACHE (0.41) | KDM1ACA1CA2CA7CA9 | |
| SCHEMBL14938952 | 0.70 | CDK5 (0.40) | CA1CA2CA7CA9GSK3B | |
| SCHEMBL14939392 | 0.69 | LMNA (0.39) | SRD5A1CA1CA2CA7CA9 | |
| SCHEMBL14939135 | 0.69 | ALDH1A1 (0.40) | CA1CA2CA7CA9 |
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 |