Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | ECE1 | P42892 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | LDHA | P00338 | 1/20 | 0.31 |
| ▸ | LDHB | P07195 | 1/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.31 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.31 |
| ▸ | GRIA2 | P42262 | 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 | |
|---|---|---|---|---|
| SCHEMBL4492341 | 0.78 | LDHA (0.36) | ALDH1A1NPC1SMN1; SMN2LMNALDHA | |
| SCHEMBL4488655 | 0.76 | KDM4E (0.36) | CNR1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL4498684 | 0.75 | CSNK1D (0.44) | TLR8TLR7TLR9 | |
| SCHEMBL4491011 | 0.73 | SMN1; SMN2 (0.44) | CNR1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4504198 | 0.73 | LDHA (0.38) | TLR8TLR7ALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL4491755 | 0.73 | TRPV1 (0.36) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL4496742 | 0.69 | CCR1 (0.36) | ALDH1A1NPC1RAB9ALDHALDHB | |
| SCHEMBL4480914 | 0.68 | LDHA (0.33) | ALDH1A1LDHALDHB | |
| SCHEMBL4497716 | 0.67 | BTK (0.41) | — | |
| SCHEMBL4491747 | 0.67 | MEN1 (0.40) | ALDH1A1RAB9ASMN1; SMN2HTT |
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-7504429-B2 | Tyrosine kinase inhibitors | MERCK & CO., INC. (US) | 2009-03-17 | — | — | US | claimed |