Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | FLT1 | P17948 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL608298 | 0.81 | LOXL2 (0.49) | CYP1A2LOXL2PTPN1PTPN11NCF1 | |
| SCHEMBL1650885 | 0.72 | CYP1A2 (0.55) | CYP1A2LOXL2NCF1FLT1KDR | |
| SCHEMBL4870247 | 0.72 | LOXL2 (0.56) | CYP1A2LOXL2PTPN1PTPN11NCF1 | |
| SCHEMBL4818347 | 0.71 | LOXL2 (0.60) | CYP1A2LOXL2PTPN1PTPN11NCF1 | |
| SCHEMBL6176955 | 0.71 | LOXL2 (0.60) | CYP1A2LOXL2NCF1HTR1AADRA1D | |
| SCHEMBL607974 | 0.71 | LOXL2 (0.51) | CYP1A2LOXL2PTPN1PTPN11NCF1 | |
| SCHEMBL5514406 | 0.71 | LOXL2 (0.51) | CYP1A2LOXL2PTPN1PTPN11NCF1 | |
| SCHEMBL5541655 | 0.70 | LOXL2 (0.55) | CYP1A2LOXL2PTPN1PTPN11NCF1 | |
| SCHEMBL7212101 | 0.70 | LOXL2 (0.58) | CYP1A2LOXL2PTPN1PTPN11NCF1 | |
| SCHEMBL5542236 | 0.69 | LOXL2 (0.53) | CYP1A2LOXL2NCF1HTR1AADRA1D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2240450-A1 | TRPA1 ANTAGONISTS | Abbott Laboratories (US) | 2010-10-20 | — | — | EP | claimed |
| WO-2009089083-A1 | TRPA1 ANTAGONISTS | ABBOTT LABORATORIES (US) | 2009-07-16 | — | — | WO | claimed |
| EP-2240450-A1 | TRPA1 ANTAGONISTS | Abbott Laboratories (US) | 2010-10-20 | — | — | EP | disclosed |
| WO-2009089083-A1 | TRPA1 ANTAGONISTS | ABBOTT LABORATORIES (US) | 2009-07-16 | — | — | WO | disclosed |