Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | LCK | P06239 | 4/20 | 0.45 |
| ▸ | ITK | Q08881 | 4/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 4/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | TXK | P42681 | 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 | |
|---|---|---|---|---|
| SCHEMBL10286441 | 0.93 | ITK (0.47) | NPC1LCKITKAURKBPOLB | |
| SCHEMBL12470060 | 0.85 | LCK (0.47) | NPC1LCKITKAURKBPOLB | |
| SCHEMBL808038 | 0.85 | LCK (0.46) | NPC1LCKITKAURKBPOLB | |
| SCHEMBL793708 | 0.78 | LCK (0.40) | NPC1LCKITKAURKBPOLB | |
| SCHEMBL799038 | 0.76 | POLB (0.44) | NPC1LCKITKAURKBPOLB | |
| SCHEMBL807804 | 0.71 | LCK (0.46) | NPC1LCKITKAURKBPOLB | |
| SCHEMBL12291456 | 0.69 | NPC1 (0.44) | NPC1LCKITKAURKBPOLB | |
| SCHEMBL136795 | 0.66 | LCK (0.66) | NPC1LCKITKAURKBRAB9A | |
| SCHEMBL19792489 | 0.66 | NPC1 (0.89) | NPC1POLBRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL139646 | 0.66 | ITK (0.69) | LCKITKAURKBSSTR5TXK |
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-2012035055-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-03-22 | — | — | WO | disclosed |