Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL6792024 | 0.82 | CYP3A4 (0.35) | CYP3A4TDP1ALDH1A1TSHRKCNN4 | |
| SCHEMBL6789949 | 0.79 | KCNN4 (0.40) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL9859862 | 0.79 | CYP3A4 (0.36) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL6791157 | 0.77 | CYP3A4 (0.31) | CYP3A4TDP1 | |
| SCHEMBL6792698 | 0.71 | CYP3A4 (0.47) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL9777482 | 0.69 | CYP3A4 (0.45) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| Hydrochloric Acid SCHEMBL28896755 | 0.67 | CYP3A4 (0.43) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| Dibromodifluoromethane SCHEMBL15949801 | 0.64 | TDP1 (0.71) | CYP3A4TDP1ALDH1A1TSHRESR1 | |
| SCHEMBL13593376 | 0.63 | CYP3A4 (0.39) | CYP3A4TDP1ALDH1A1ESR1ESR2 | |
| SCHEMBL6789951 | 0.63 | TDP1 (0.39) | CYP3A4TDP1ALDH1A1ESR1ESR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6822057-B2 | OLEFIN POLYMERIZATION CATALYST SYSTEM IS A REACTION PRODUCT OF A METALLOCENES AND A COCATALYST CONTAINING FLUOROARYL SUBSTITUTED SECONDARY AMINE OR PHSOPHINE COMPOUND AND AN ANION CONTAINING GROUP 13 ELEMENT WHICH IS NONCOORDINATIG | EXXON MOBIL CHEMICAL PATENTS INC. | 2004-11-23 | — | — | US | disclosed |
| US-6489480-B2 | COORDINATION POLYMERIZATION CATALYST FOR ALPHA-OLEFINS | EXXONMOBIL CHEMICAL PATENTS INC. | 2002-12-03 | — | — | US | disclosed |
| US-20020115806-A1 | Olefin polymerization catalysts derived from Group-15 cationic compounds and processes using them | EXXONMOBIL CHEMICAL PATENTS INC. | 2002-08-22 | — | — | US | disclosed |
| US-20020111265-A1 | GROUP-15 CATIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS | EXXONMOBIL CHEMICAL PATENTS INC. | 2002-08-15 | — | — | US | disclosed |