Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL947006 | 0.81 | — | — | |
| SCHEMBL6756040 | 0.75 | ALOX15 (0.38) | ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL3129182 | 0.75 | ALOX15 (0.38) | ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL10886649 | 0.75 | ALOX15 (0.38) | ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL2267415 | 0.74 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL1316560 | 0.74 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL27912 | 0.74 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL130642 | 0.74 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4610 | 0.74 | — | — | |
| SCHEMBL297828 | 0.74 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5502073-A | INSECTICIDES OR ANTHELMINTICS | THE WELLCOME FOUNDATION (GB) | 1996-03-26 | — | — | US | disclosed |
| US-5466710-A | Heterobicycloalkanes as pesticidal compounds | ROUSSEL UCLAF (FR) | 1995-11-14 | — | — | US | disclosed |
| CN-1025677-C | Novel heterocyclic pesticidal compounds | WELLCOME FOUND (GB) | 1994-08-17 | — | — | CN | disclosed |
| EP-0294229-B1 | NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-12-02 | — | — | EP | disclosed |
| EP-0372816-B1 | NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-07-29 | — | — | EP | disclosed |
| US-5116862-A | Acetylenic trithiabicyclo(2.2.2)octanes | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-05-26 | — | — | US | disclosed |
| WO-1990006304-A1 | NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-06-14 | — | — | WO | disclosed |
| EP-0372870-A2 | Novel heterocyclic pesticidal compounds | ROUSSEL-UCLAF (FR) | 1990-06-13 | — | — | EP | disclosed |
| EP-0372816-A1 | Novel heterocyclic pesticidal compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-06-13 | — | — | EP | disclosed |
| CN-1030759-A | Agricultural chemical compound | WELLCOME FOUND (GB) | 1989-02-01 | — | — | CN | disclosed |
| EP-0300797-A1 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1989-01-25 | — | — | EP | disclosed |
| CN-1030236-A | NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS | WELLCOME FOUND (GB) | 1989-01-11 | — | — | CN | disclosed |
| EP-0294229-A2 | Novel heterocyclic pesticidal compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1988-12-07 | — | — | EP | disclosed |