Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL277408 | 0.97 | CES2 (0.41) | CES2CES1TRPA1CYP2C19CYP3A4 | |
| SCHEMBL28203588 | 0.84 | CYP3A4 (0.46) | CYP3A4ALDH1A1TAAR1CYP2D6 | |
| SCHEMBL7131921 | 0.84 | CYP2C19 (0.30) | CYP2C19 | |
| SCHEMBL7131926 | 0.75 | CYP2C19 (0.42) | CYP2C19CYP3A4MAPTALOX15ALDH1A1 | |
| SCHEMBL9634797 | 0.74 | ALDH1A1 (0.36) | CYP2C19TSHRALDH1A1 | |
| SCHEMBL5134897 | 0.73 | ALDH1A1 (0.52) | TSHRALDH1A1 | |
| SCHEMBL11210246 | 0.73 | CHRNA7 (0.39) | CYP2C19CYP3A4KDM4EMAPTALDH1A1 | |
| SCHEMBL28760656 | 0.73 | — | — | |
| SCHEMBL688950 | 0.72 | CES2 (0.46) | CES2CES1TRPA1TSHRDPP4 | |
| SCHEMBL1176831 | 0.72 | CES2 (0.41) | CES2CES1TRPA1TSHRDPP4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6262201-B1 | AS POLYMERIZATION CATALYST IN PRODUCING POLYOLEFINS | PHILLIPS PETROLEUM COMPANY | 2001-07-17 | — | — | US | disclosed |