Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | AHR | P35869 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.42 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.41 |
| ▸ | ITGAL | P20701 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2473835 | 0.86 | AHR (0.54) | HTR2BPDE4DTSHRTP53CYP3A4 | |
| SCHEMBL7136627 | 0.83 | AHR (0.57) | TSHRTP53CYP3A4AHRALDH1A1 | |
| SCHEMBL5532978 | 0.83 | CYP3A4 (0.50) | TSHRTP53CYP3A4AHRALDH1A1 | |
| SCHEMBL9257913 | 0.79 | PRKAB2 (0.43) | HTR2BPDE4DTP53AHRCNR2 | |
| SCHEMBL2280325 | 0.78 | HSD17B10 (0.48) | TSHRTP53CYP3A4AHRALDH1A1 | |
| SCHEMBL29028999 | 0.78 | CYP1A2 (0.58) | TSHRTP53AHRALDH1A1CNR2 | |
| SCHEMBL1047205 | 0.78 | TP53 (0.42) | HTR2BPDE4DTP53AHRALDH1A1 | |
| SCHEMBL14746640 | 0.78 | ALDH1A1 (0.54) | HTR2BPDE4DTSHRTP53CYP3A4 | |
| SCHEMBL4445026 | 0.77 | AHR (0.67) | HTR2BPDE4DTSHRTP53CYP3A4 | |
| SCHEMBL2934398 | 0.77 | CYP2A6 (0.58) | HTR2BPDE4DTSHRTP53ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013029338-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2013-03-07 | — | — | WO | disclosed |
| EP-0215312-B1 | METHOD FOR PRODUCING OF POLYARYLENE SULFIDES | IDEMITSU PETROCHEMICAL CO. LTD. (JP) | 1992-03-25 | — | — | EP | disclosed |