Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24198866 | 0.86 | ALDH1A1 (0.52) | ALDH1A1TSHRKDM4ELMNAGAA | |
| SCHEMBL24418016 | 0.81 | PTK2 (0.41) | ALDH1A1TSHRKDM4ELMNAGAA | |
| SCHEMBL23472773 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHRKDM4ELMNAGAA | |
| SCHEMBL22414977 | 0.75 | TSHR (0.43) | ALDH1A1TSHRKDM4ELMNAGAA | |
| SCHEMBL31228153 | 0.75 | TSHR (0.43) | ALDH1A1TSHRKDM4ELMNAGAA | |
| SCHEMBL12968545 | 0.73 | ALDH1A1 (0.53) | ALDH1A1TSHRKDM4ELMNAGAA | |
| SCHEMBL868747 | 0.73 | ALDH1A1 (0.53) | ALDH1A1TSHRKDM4ELMNAGAA | |
| SCHEMBL7274355 | 0.73 | PTK2 (0.38) | ALDH1A1TSHRKDM4EGAAMAPT | |
| SCHEMBL28770844 | 0.73 | PTK2 (0.38) | GAAPTK2 | |
| SCHEMBL22773010 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM4ELMNAGAA |
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-2019136147-A1 | TOLL-LIKE RECEPTOR SIGNALING INHIBITORS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2019-07-11 | — | — | WO | disclosed |