Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12066610 | 0.83 | IDO1 (0.47) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL24446513 | 0.82 | SIGMAR1 (0.40) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL30542166 | 0.82 | SIGMAR1 (0.40) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL4611466 | 0.79 | SIGMAR1 (0.49) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| Hydrochloric Acid SCHEMBL28881296 | 0.77 | SIGMAR1 (0.47) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL1144658 | 0.77 | SIGMAR1 (0.50) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL27411283 | 0.77 | SIGMAR1 (0.47) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL31388327 | 0.77 | ALDH1A1 (0.78) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL30051993 | 0.77 | MAPT (0.71) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL6719185 | 0.77 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 |
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-2019183358-A2 | WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2019-09-26 | — | — | WO | disclosed |