Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.44 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.43 |
| ▸ | PRKACA | P17612 | 3/20 | 0.43 |
| ▸ | IRAK1 | P51617 | 3/20 | 0.43 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.43 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.43 |
| ▸ | PRKX | P51817 | 2/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.43 |
| ▸ | PRKG2 | Q13237 | 2/20 | 0.43 |
| ▸ | HIPK4 | Q8NE63 | 2/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.43 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.43 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 2/20 | 0.42 |
| ▸ | HPGDS | O60760 | 2/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16823433 | 0.87 | HPGDS (0.53) | MMEHPGDSCTSSCTSK | |
| SCHEMBL2714739 | 0.87 | CTSS (0.56) | ITGA4ITGB7CYP17A1LHCGRCTSS | |
| SCHEMBL2714740 | 0.87 | CTSS (0.56) | ITGA4ITGB7CYP17A1LHCGRCTSS | |
| SCHEMBL14850462 | 0.81 | ACACB (0.46) | ITGA4ITGB7ROCK2ROCK1ACACB | |
| SCHEMBL20241397 | 0.80 | LDHA (0.53) | ACACB | |
| SCHEMBL20241398 | 0.80 | LDHA (0.53) | ACACB | |
| SCHEMBL3616169 | 0.80 | MMP1 (0.55) | HPGDSALDH1A1HSD17B10CTSSCTSK | |
| SCHEMBL3616167 | 0.80 | MMP1 (0.55) | HPGDSALDH1A1HSD17B10CTSSCTSK | |
| SCHEMBL15577717 | 0.80 | NOS3 (0.49) | MMECTSK | |
| SCHEMBL4516299 | 0.79 | GPR142 (0.50) | ITGA4ROCK2ROCK1PRKACAIRAK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3113780-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-01-11 | — | — | EP | claimed |
| WO-2015134366-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-09-11 | — | — | WO | claimed |