Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 8/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.38 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL7932563 | 0.83 | ERN1 (0.44) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL9754385 | 0.82 | ERN1 (0.45) | ERN1NPC1RAB9ATLR2TLR1 | |
| SCHEMBL8360363 | 0.80 | CA2 (0.37) | NPC1RAB9AALDH1A1KDM4EF2 | |
| SCHEMBL11673547 | 0.79 | NAAA (0.50) | PTGDR2NPC1RAB9ASLC13A5GRM2 | |
| SCHEMBL8920390 | 0.78 | GRIA4 (0.42) | NPC1RAB9ATUBB1ALDH1A1MAPT | |
| SCHEMBL952392 | 0.75 | ALDH1A1 (0.46) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL6536020 | 0.75 | ERN1 (0.47) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL16056403 | 0.75 | PTGS2 (0.46) | ERN1 | |
| SCHEMBL15332984 | 0.74 | ALDH1A1 (0.51) | TUBB1ALDH1A1KDM4EMAPT | |
| SCHEMBL170690 | 0.74 | ERN1 (0.55) | ERN1TLR2TLR1TLR6ALDH1A1 |
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-5622953-A | DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |