Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 2/20 | 0.70 |
| ▸ | ESR1 | P03372 | 10/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
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 SCHEMBL27461778 | 1.00 | SHBG (0.70) | SHBGESR1ESR2CYP3A4SMN1; SMN2 | |
| Butylamine SCHEMBL28296259 | 0.98 | SHBG (0.68) | SHBGESR1ESR2CYP3A4SMN1; SMN2 | |
| Butylamine SCHEMBL27780646 | 0.98 | SHBG (0.68) | SHBGESR1ESR2CYP3A4SMN1; SMN2 | |
| SCHEMBL31282065 | 0.84 | SHBG (1.00) | SHBGESR1ESR2CYP3A4SMN1; SMN2 | |
| SCHEMBL10141 | 0.84 | SHBG (1.00) | SHBGESR1ESR2CYP3A4SMN1; SMN2 | |
| Butylamine SCHEMBL6904543 | 0.82 | SHBG (0.44) | SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6 | |
| Butylamine SCHEMBL7760156 | 0.82 | ESR1 (0.50) | SHBGESR1ESR2 | |
| Butylamine SCHEMBL6905397 | 0.82 | ESR1 (0.50) | SHBGESR1ESR2 | |
| SCHEMBL22773183 | 0.82 | SHBG (0.95) | SHBGESR1ESR2CYP3A4SMN1; SMN2 | |
| SCHEMBL10785821 | 0.82 | SHBG (0.95) | SHBGESR1ESR2CYP3A4SMN1; SMN2 |
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-1084175-A1 | CRYSTALLINE MODIFICATION OF MIXTURES OF A NICKEL-QUENCHER AND A BENZOPHENONE AND PROCESS FOR ITS PREPARATION | Great Lakes Chemical (Europe) GmbH (CH) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999055768-A1 | CRYSTALLINE MODIFICATION OF MIXTURES OF A NICKEL-QUENCHER AND A BENZOPHENONE AND PROCESS FOR ITS PREPARATION | GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) | 1999-11-04 | — | — | WO | disclosed |