Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.45 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.45 |
| ▸ | HTR1A | P08908 | 4/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.38 |
| ▸ | TOP2A | P11388 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL642234 | 0.85 | GAA (0.62) | SLC6A2SLC6A4SLC6A3CXCR2HTR1A | |
| SCHEMBL641983 | 0.76 | GAA (0.66) | CXCR2PKMGAAALDH1A1NPSR1 | |
| SCHEMBL20463493 | 0.72 | HDAC3 (0.48) | GAAMAPTKDM4E | |
| SCHEMBL11158092 | 0.71 | ALDH1A1 (0.52) | PKMGAAALDH1A1NPSR1ALOX12 | |
| SCHEMBL7974632 | 0.70 | GPR35 (0.50) | PKMGAAALDH1A1NPSR1ALOX12 | |
| SCHEMBL642196 | 0.69 | GAA (0.56) | PKMGAAALDH1A1KMT2AKDM4E | |
| SCHEMBL641183 | 0.69 | GAA (0.53) | SLC6A2SLC6A4CXCR2HTR1APKM | |
| SCHEMBL9965467 | 0.68 | HTR2C (0.47) | SLC6A2SLC6A4SLC6A3CXCR2HTR1A | |
| SCHEMBL10173892 | 0.68 | GAA (0.54) | PKMGAAALDH1A1MEN1KMT2A | |
| SCHEMBL9965415 | 0.68 | ACHE (0.68) | PKMGAAALDH1A1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1960347-B1 | 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS | STERIX LTD (GB) | 2012-06-20 | — | — | EP | disclosed |