Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL11661542 | 0.83 | MAPK1 (0.44) | MAPK1ALDH1A1ALOX15CES1TSHR | |
| SCHEMBL487295 | 0.77 | MAPK1 (0.43) | MAPK1ALDH1A1ALOX15CES1TSHR | |
| SCHEMBL10881161 | 0.77 | MAPK1 (0.38) | MAPK1ALDH1A1ALOX15CES1TSHR | |
| SCHEMBL4438974 | 0.76 | KCNN4 (0.39) | MAPK1ALDH1A1ALOX15CES1TSHR | |
| SCHEMBL20394562 | 0.76 | MAPK1 (0.39) | MAPK1ALDH1A1ALOX15CES1KCNN4 | |
| SCHEMBL14461649 | 0.76 | MAPK1 (0.39) | MAPK1ALDH1A1ALOX15CES1KCNN4 | |
| Hydrochloric Acid SCHEMBL6626174 | 0.75 | KCNN4 (0.38) | MAPK1ALDH1A1ALOX15CES1TSHR | |
| SCHEMBL4354052 | 0.73 | MAPK1 (0.42) | MAPK1ALDH1A1ALOX15TSHRKCNN4 | |
| SCHEMBL10772333 | 0.72 | AOC3 (0.46) | MAPK1ALDH1A1ALOX15CES1KCNN4 | |
| SCHEMBL15899234 | 0.72 | CES1 (0.42) | MAPK1ALDH1A1ALOX15CES1TSHR |
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-2020016903-A1 | AN IMPROVED AND COMMERCIALLY VIABLE PROCESS FOR PREPARATION OF PYRROLE DERIVATIVES WITH IMPROVED IMPURITY PROFILE & MINIMISATION OF UNIT OPERATIONS. | ARCH PHARMALABS LIMITED (IN) | 2020-01-23 | — | — | WO | disclosed |