Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 3/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.33 |
| ▸ | PLK3 | Q9H4B4 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.32 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.32 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.32 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.32 |
| ▸ | MLYCD | O95822 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28740457 | 0.84 | LPAR1 (0.35) | POLBLPAR1LPAR5 | |
| SCHEMBL1592968 | 0.77 | ESR1 (0.38) | HCAR3CA12CA2RAB9ASMN1; SMN2 | |
| SCHEMBL8001344 | 0.74 | BRAF (0.34) | PLK1LMNA | |
| SCHEMBL28691752 | 0.73 | — | — | |
| SCHEMBL1437491 | 0.72 | AKR1B1 (0.34) | PLK1TDP1LMNA | |
| SCHEMBL17202417 | 0.70 | CES2 (0.35) | CA12CA2SMN1; SMN2CA9 | |
| SCHEMBL7799718 | 0.70 | METAP2 (0.39) | PLK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL1490950 | 0.69 | LMNA (0.39) | POLBSMN1; SMN2ALDH1A1LMNANPSR1 | |
| SCHEMBL31258574 | 0.68 | CES2 (0.47) | CA12CA2SMN1; SMN2CA9ALDH1A1 | |
| SCHEMBL365563 | 0.68 | CES2 (0.47) | CA12CA2SMN1; SMN2CA9ALDH1A1 |
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-2870154-A1 | SOLID STATE FORM OF VEMURAFENIB CHOLINE SALT | Ratiopharm GmbH (DE) | 2015-05-13 | — | — | EP | disclosed |
| WO-2014008270-A1 | SOLID STATE FORM OF VEMURAFENIB CHOLINE SALT | RATIOPHARM GMBH (DE) | 2014-01-09 | — | — | WO | disclosed |