Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TLR4 | O00206 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6252661 | 0.71 | — | — | |
| SCHEMBL6283930 | 0.65 | CYP2A6 (0.31) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL6282368 | 0.64 | CYP2A6 (0.32) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL9578672 | 0.64 | CYP2A6 (0.32) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL6283926 | 0.62 | CYP2A6 (0.35) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL446772 | 0.61 | — | — | |
| SCHEMBL14104390 | 0.60 | — | — | |
| SCHEMBL106510 | 0.59 | — | — | |
| SCHEMBL1523123 | 0.59 | — | — | |
| SCHEMBL418184 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6911508-B2 | Class of metallocenes and method of producing polyethylene | UNIVATION TECHNOLOGIES, LLC (US) | 2005-06-28 | — | — | US | disclosed |
| US-20040249096-A1 | Class of metallocenes and method of producing polyethylene | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-12-09 | — | — | US | disclosed |