Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 3/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL6565333 | 0.92 | MEN1 (0.40) | PTGESCTSSCTSLCTSBACACB | |
| SCHEMBL6563537 | 0.88 | PLAU (0.38) | PTGESNPC1RAB9APTPN11ACACB | |
| SCHEMBL6563455 | 0.85 | RAB9A (0.41) | CTSKNPC1RAB9ANAMPTESRRG | |
| SCHEMBL6561959 | 0.85 | MLYCD (0.41) | MLYCDROCK2ROCK1TLR9TLR8 | |
| SCHEMBL6565428 | 0.82 | MEN1 (0.34) | NPC1RAB9APTPN11ACACB | |
| SCHEMBL6563229 | 0.82 | PLAU (0.37) | PTGESNPC1RAB9APTPN11ACACB | |
| SCHEMBL6565278 | 0.81 | PTPN11 (0.33) | PTPN11 | |
| SCHEMBL6565492 | 0.80 | CNR2 (0.39) | NPC1RAB9APTPN11ACACBABL1 | |
| SCHEMBL6563932 | 0.80 | HTT (0.34) | PTGESNPC1RAB9APTPN11ACACB | |
| SCHEMBL6565352 | 0.80 | PTPN11 (0.33) | PTPN11 |
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-1140802-B1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-03-17 | — | — | EP | disclosed |
| US-6479524-B1 | TO PROLONG THE THROMBIN TIME | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-11-12 | — | — | US | disclosed |