Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12118928 | 0.81 | PYCR1 (0.39) | TAAR1PYCR1HDAC1MAOBACHE | |
| SCHEMBL12144256 | 0.81 | HRH3 (0.54) | TAAR1PYCR1CYP19A1HDAC1NPSR1 | |
| SCHEMBL7297585 | 0.79 | PYCR1 (0.59) | PYCR1NPSR1ALDH1A1CYP2C19KDM4E | |
| SCHEMBL28139840 | 0.79 | NPC1 (0.47) | NPSR1ALDH1A1KDM4EMEN1LMNA | |
| SCHEMBL10194246 | 0.73 | CYP2C19 (0.61) | PYCR1NPSR1ALDH1A1CYP2C19KDM4E | |
| SCHEMBL355111 | 0.73 | TSHR (0.61) | PYCR1ALDH1A1CYP2C19KDM4ELMNA | |
| SCHEMBL19496866 | 0.72 | NMT1 (0.46) | TAAR1HDAC1CHRNB2CHRNA4 | |
| SCHEMBL31501053 | 0.72 | NPC1 (0.34) | ALDH1A1CYP2C19KDM4EMEN1LMNA | |
| Bromide SCHEMBL1331743 | 0.71 | CHRNB2 (0.59) | PYCR1ALDH1A1CYP2C19KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL1331237 | 0.71 | ALDH1A1 (0.59) | PYCR1ALDH1A1CYP2C19KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-9685684-B1 | Electrochemical cell structure including an ionomeric barrier | NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) | 2017-06-20 | — | — | US | disclosed |