Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.50 |
| ▸ | CNR2 | P34972 | 15/20 | 0.48 |
| ▸ | CNR1 | P21554 | 8/20 | 0.48 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Butylamine SCHEMBL6905397 | 1.00 | ESR1 (0.50) | ESR1ESR2CNR2CNR1SHBG | |
| SCHEMBL18671 | 0.90 | ESR1 (0.60) | ESR1ESR2CNR2CNR1SHBG | |
| SCHEMBL678357 | 0.88 | CNR2 (0.58) | ESR1ESR2CNR2CNR1SHBG | |
| SCHEMBL27813196 | 0.88 | CNR2 (0.58) | ESR1ESR2CNR2CNR1SHBG | |
| SCHEMBL20500878 | 0.88 | CNR2 (0.58) | ESR1ESR2CNR2CNR1SHBG | |
| SCHEMBL10890723 | 0.88 | CNR2 (0.58) | ESR1ESR2CNR2CNR1SHBG | |
| SCHEMBL3445177 | 0.88 | CNR2 (0.58) | ESR1ESR2CNR2CNR1SHBG | |
| SCHEMBL3720371 | 0.88 | CNR2 (0.58) | ESR1ESR2CNR2CNR1SHBG | |
| SCHEMBL11458056 | 0.85 | CNR2 (0.64) | ESR1ESR2CNR2CNR1SHBG | |
| Formaldehyde SCHEMBL290372 | 0.85 | ESR1 (0.55) | ESR1ESR2CNR2CNR1SHBG |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1084183-A1 | GRANULAR FORM OF A MIXTURE OF A NICKEL-QUENCHER AND A BENZOPHENONE AND PROCESS FOR ITS PREPARATION | Great Lakes Chemical (Europe) GmbH (CH) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999052977-A1 | GRANULAR FORM OF A MIXTURE OF A NICKEL-QUENCHER AND A BENZOPHENONE AND PROCESS FOR ITS PREPARATION | GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) | 1999-10-21 | — | — | WO | disclosed |