Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.38 |
| ▸ | EDNRA | P25101 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 2/20 | 0.38 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.38 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL16807079 | 0.91 | EGFR (0.42) | EGFRHSD17B1S1PR1S1PR5BCL2 | |
| SCHEMBL16807130 | 0.90 | MAP2K4 (0.40) | HSD17B1PDK2KIF11S1PR1S1PR5 | |
| SCHEMBL16807109 | 0.89 | EGFR (0.41) | EGFRHSD17B1S1PR1S1PR5RXRA | |
| SCHEMBL16807141 | 0.88 | MCL1 (0.48) | HSD17B1PDK2KIF11 | |
| SCHEMBL16807140 | 0.86 | TSHR (0.40) | EGFRHSD17B1S1PR1S1PR5BCL2 | |
| SCHEMBL16807153 | 0.85 | RARB (0.50) | ALDH1A1MAPT | |
| SCHEMBL16807152 | 0.84 | RARB (0.51) | EGFRALDH1A1LMNAMAPT | |
| SCHEMBL16807143 | 0.83 | CYP4A11 (0.44) | ALDH1A1MAPT | |
| SCHEMBL16807156 | 0.83 | RARB (0.53) | EGFRS1PR1ALDH1A1LMNAMAPT | |
| SCHEMBL17715437 | 0.83 | NPC1 (0.47) | EGFRPDK2KIF11S1PR1S1PR5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150166890-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-06-18 | — | — | US | disclosed |
| US-20150166890-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-06-18 | — | — | US | disclosed |