Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.61 |
| ▸ | TACR2 | P21452 | 2/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.61 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.61 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | SHBG | P04278 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.61 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.61 |
| ▸ | HTR2C | P28335 | 1/20 | 0.61 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| 4-Octylphenol SCHEMBL15375423 | 0.93 | PTGS2 (0.73) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| 4-Octylphenol SCHEMBL5481940 | 0.93 | PTGS2 (0.73) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| 4-Nonylphenol SCHEMBL8164933 | 0.93 | PTGS2 (0.73) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL29558042 | 0.93 | DRD2 (0.63) | CHRM2CHRM1CHRM3CYP3A4PTGS2 | |
| SCHEMBL295433 | 0.93 | DRD2 (0.63) | CHRM2CHRM1CHRM3CYP3A4PTGS2 | |
| Phenol SCHEMBL7191212 | 0.91 | OPRK1 (0.67) | CHRM2CHRM1CHRM3CYP3A4PTGS2 | |
| SCHEMBL2368581 | 0.89 | DRD2 (0.59) | CHRM2CHRM1CHRM3DRD2DRD3 | |
| Formaldehyde SCHEMBL11427172 | 0.87 | DRD2 (0.58) | CHRM2CHRM1CHRM3CYP3A4PTGS2 | |
| SCHEMBL647539 | 0.87 | PTGS2 (0.64) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| Phenol SCHEMBL16828350 | 0.86 | DRD2 (0.68) | ESR1ADRA2AADORA3TACR2SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2044092-B1 | METHOD FOR PRODUCING ORGANIC PHOSPHOROUS COMPOUNDS CONTAINING HALOGENE | BASF SE (DE) | 2011-09-28 | — | — | EP | disclosed |
| EP-2044092-A1 | METHOD FOR PRODUCING ORGANIC PHOSPHOROUS COMPOUNDS CONTAINING HALOGENE | BASF SE (DE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008006735-A1 | METHOD FOR PRODUCING ORGANIC PHOSPHOROUS COMPOUNDS CONTAINING HALOGENE | BASF SE (DE) | 2008-01-17 | — | — | WO | disclosed |