Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL737836 | 0.76 | MAOA (0.40) | — | |
| SCHEMBL9272850 | 0.75 | DPP8 (0.32) | — | |
| SCHEMBL8909252 | 0.64 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL6449447 | 0.64 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2DRD1 | |
| Propane SCHEMBL27796760 | 0.63 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2DRD1 | |
| Propane SCHEMBL28233649 | 0.63 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL14183703 | 0.63 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL7919519 | 0.63 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL24833823 | 0.62 | CYP3A4 (0.50) | CYP3A4TDP1ESR1ESR2 | |
| Butane SCHEMBL27989459 | 0.61 | CYP3A4 (0.71) | CYP3A4TDP1ESR1ESR2DRD1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5545785-A | Process for preparing biscyclopentadienyl compounds | WITCO GMBH (DE) | 1996-08-13 | — | — | US | disclosed |
| US-5474716-A | Process for the preparation of bridged cyclopentadienylmagnesium compounds and use thereof for preparing metallocenes | WITCO GMBH (DE) | 1995-12-12 | — | — | US | disclosed |
| US-5453221-A | Bridged cyclopentadienylmagnesium compounds and use thereof for preparing metallocenes | WITCO GMBH (DE) | 1995-09-26 | — | — | US | disclosed |