Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12951432 | 0.70 | CYP3A4 (0.35) | CYP3A4TDP1KDM4EGAA | |
| SCHEMBL19286240 | 0.70 | CYP3A4 (0.35) | CYP3A4TDP1KDM4EGAA | |
| SCHEMBL17900512 | 0.69 | CYP3A4 (0.34) | CYP3A4TDP1 | |
| SCHEMBL28195014 | 0.64 | CYP3A4 (0.67) | CYP3A4TDP1DRD1KDM4EGAA | |
| Ethyne SCHEMBL28783956 | 0.62 | TDP1 (0.86) | CYP3A4TDP1DRD1KDM4EGAA | |
| Ethane SCHEMBL27526681 | 0.62 | TDP1 (0.86) | CYP3A4TDP1DRD1KDM4EGAA | |
| SCHEMBL5028587 | 0.61 | TDP1 (1.00) | CYP3A4TDP1DRD1KDM4EGAA | |
| SCHEMBL2085135 | 0.61 | TDP1 (1.00) | CYP3A4TDP1DRD1KDM4EGAA | |
| SCHEMBL101 | 0.61 | TDP1 (1.00) | CYP3A4TDP1DRD1KDM4EGAA | |
| Benzene SCHEMBL6890099 | 0.61 | TDP1 (1.00) | CYP3A4TDP1DRD1KDM4EGAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1373284-A1 | CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION | Bayer Aktiengesellschaft (DE) | 2004-01-02 | — | — | EP | disclosed |
| US-6657027-B2 | Compounds in which a transition metal is complexed with two ligand systems that systems are reversibly bonded together by a bridge ofa donor and an acceptor; at least one fluorinated aryl radical; olefin polymerization catalysts | BAYER AKTIENGESELLSCHAFT (DE) | 2003-12-02 | — | — | US | disclosed |
| US-20030036474-A1 | Catalysts with a donor-acceptor interaction | LANXESS DEUTSCHLAND GMBH (DE) | 2003-02-20 | — | — | US | disclosed |
| CN-1097059-C | Method for preparing thermoplastic elastomer | BAYER AG (DE) | 2002-12-25 | — | — | CN | disclosed |
| WO-2002076999-A1 | CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-03 | — | — | WO | disclosed |
| CN-1228790-A | Method for producing thermoplastic elastomers | BAYER AG (DE) | 1999-09-15 | — | — | CN | disclosed |