Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | ESR1 | P03372 | 4/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6246977 | 0.86 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL150139 | 0.84 | TDP1 (0.69) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL28323816 | 0.81 | CYP3A4 (0.65) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL8073956 | 0.81 | CYP3A4 (0.65) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL4146230 | 0.81 | CYP3A4 (0.65) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL2085135 | 0.79 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL101 | 0.79 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL5028587 | 0.79 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Benzene SCHEMBL6890099 | 0.79 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL28277953 | 0.78 | TDP1 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0764168-B1 | HETEROATOM-FUNCTIONALIZED PORPHYRAZINES AND MULTIMETALLIC COMPLEXES AND POLYMERS DERIVED THEREFROM | HOFFMAN BARRETT L L C (US) | 2009-11-18 | — | — | EP | disclosed |
| US-5912341-A | Heteroatom-functionalized porphyrazines and multimetallic complexes and polymers derived therefrom | HOFFMAN/BARRETT, L.L.C. (US) | 1999-06-15 | — | — | US | disclosed |
| US-5675001-A | Heteroatom-functionalized porphyrazines and multimetallic complexes and polymers derived therefrom | HOFFMAN/BARRETT, L.L.C. (US) | 1997-10-07 | — | — | US | disclosed |
| EP-0764168-A1 | HETEROATOM-FUNCTIONALIZED PORPHYRAZINES AND MULTIMETALLIC COMPLEXES AND POLYMERS DERIVED THEREFROM | Hoffman/Barrett, L.L.C. (US) | 1997-03-26 | — | — | EP | disclosed |
| WO-1996028449-A1 | HETEROATOM-FUNCTIONALIZED PORPHYRAZINES AND MULTIMETALLIC COMPLEXES AND POLYMERS DERIVED THEREFROM | HOFFMAN/BARRETT, L.L.C. (US) | 1996-09-19 | — | — | WO | disclosed |