Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.53 |
| ▸ | SLC28A3 | Q9HAS3 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
| ▸ | HRH1 | P35367 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | TACR2 | P21452 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SHBG | P04278 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL22398114 | 0.95 | ESR1 (0.57) | ESR1ESR2CALM1SLC28A3ADRA2A | |
| SCHEMBL8784423 | 0.91 | ESR1 (0.70) | ESR1ESR2ADRA2ASLC6A2HRH1 | |
| SCHEMBL1171041 | 0.85 | ESR1 (0.77) | ESR1ESR2CALM1SLC28A3ADRA2A | |
| SCHEMBL245139 | 0.85 | ESR1 (0.77) | ESR1ESR2CALM1SLC28A3ADRA2A | |
| SCHEMBL351920 | 0.85 | HRH1 (0.65) | HRH1ALDH1A1CYP3A4LMNAHIF1A | |
| SCHEMBL31673871 | 0.83 | HRH1 (0.62) | HRH1ALDH1A1CYP3A4LMNAHIF1A | |
| SCHEMBL28055322 | 0.83 | HRH1 (0.62) | HRH1ALDH1A1CYP3A4LMNAHIF1A | |
| SCHEMBL9128639 | 0.81 | ESR1 (0.70) | ESR1ESR2ALDH1A1CYP3A4CYP17A1 | |
| SCHEMBL726645 | 0.80 | HRH1 (0.73) | HRH1ALDH1A1CYP3A4LMNAHIF1A | |
| SCHEMBL449737 | 0.80 | ESR1 (0.77) | ESR1ESR2CALM1SLC28A3ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5399575-A | Antiallergens | BOEHRINGER MANNHEIM GMBH (DE) | 1995-03-21 | — | — | US | disclosed |
| US-5338742-A | Nematicidal use of 4-aralkylpyridines | DOWELANCO (US) | 1994-08-16 | — | — | US | disclosed |
| EP-0556377-A4 | NEMATICIDAL USE OF 4-ARALKYLPYRIDINES | DOWELANCO (US) | 1994-05-18 | — | — | EP | disclosed |
| EP-0556377-A1 | NEMATICIDAL USE OF 4-ARALKYLPYRIDINES | DOWELANCO (US) | 1993-08-25 | — | — | EP | disclosed |
| WO-1993004579-A1 | NEMATICIDAL USE OF 4-ARALKYLPYRIDINES | DOWELANCO (US) | 1993-03-18 | — | — | WO | disclosed |