Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 3/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.35 |
| ▸ | PPARG | P37231 | 7/20 | 0.35 |
| ▸ | PPARD | Q03181 | 7/20 | 0.35 |
| ▸ | PPARA | Q07869 | 7/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.35 |
| ▸ | TLR2 | O60603 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | FABP4 | P15090 | 2/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28632205 | 0.82 | TSHR (0.40) | TSHRALDH1A1FAAHCES2CES1 | |
| SCHEMBL11076224 | 0.74 | TSHR (0.45) | TSHRALDH1A1CES2CES1GPR84 | |
| SCHEMBL11076227 | 0.74 | TSHR (0.45) | TSHRALDH1A1CES2CES1GPR84 | |
| SCHEMBL19480573 | 0.73 | LMNA (0.38) | TSHRALDH1A1FAAHCES2CES1 | |
| SCHEMBL8520818 | 0.72 | MAPT (0.37) | FAAHCES2CES1MEN1KMT2A | |
| SCHEMBL8520817 | 0.72 | MAPT (0.37) | FAAHCES2CES1MEN1KMT2A | |
| SCHEMBL10516287 | 0.72 | CES2 (0.50) | TSHRALDH1A1CES2CES1GPR84 | |
| SCHEMBL1173873 | 0.71 | CES2 (0.48) | TSHRALDH1A1CES2CES1GPR84 | |
| SCHEMBL5613360 | 0.71 | CES2 (0.48) | TSHRALDH1A1CES2CES1GPR84 | |
| SCHEMBL5613328 | 0.71 | CES2 (0.48) | TSHRALDH1A1CES2CES1GPR84 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613585-A4 | COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER BASED UPON INHIBITORS OF ISOPRENYLCYSTEINE METHYLTRANSFERASE | PURDUE RESEARCH FOUNDATION (US) | 2008-07-23 | — | — | EP | disclosed |
| EP-1613585-A2 | COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER BASED UPON INHIBITORS OF ISOPRENYLCYSTEINE METHYLTRANSFERASE | PURDUE RESEARCH FOUNDATION (US) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004087064-A2 | COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER BASED UPON INHIBITORS OF ISOPRENYLCYSTEINE METHYLTRANSFERASE | PURDUE RESEARCH FOUNDATION (US) | 2004-10-14 | — | — | WO | disclosed |