Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14200247 | 0.92 | NAAA (0.41) | NAAAEPHX1HTTALDH1A1CYP19A1 | |
| SCHEMBL14229669 | 0.90 | NAAA (0.54) | NAAAEPHX1HTTALDH1A1CNR2 | |
| SCHEMBL14229090 | 0.87 | NAAA (0.51) | NAAAEPHX1HTTALDH1A1CNR2 | |
| SCHEMBL14200246 | 0.81 | CYP1A2 (0.37) | NAAABCHEACHECA12CA1 | |
| SCHEMBL14759339 | 0.80 | NAAA (0.49) | NAAAEPHX1HTTALDH1A1BCHE | |
| SCHEMBL14759098 | 0.78 | NAAA (0.47) | NAAAEPHX1HTTALDH1A1BCHE | |
| SCHEMBL14200263 | 0.78 | CNR2 (0.46) | NAAACNR2BCHECA12CA1 | |
| SCHEMBL14200251 | 0.76 | SIGMAR1 (0.40) | BCHEACHECA12CA1CA9 | |
| SCHEMBL20927984 | 0.75 | NAAA (0.43) | NAAAEPHX1HTTALDH1A1BCHE | |
| SCHEMBL14201257 | 0.74 | CA12 (0.40) | ALDH1A1CA12CA1CA9SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7365093-B2 | Endothelin antagonists | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |
| US-7208517-B1 | Endothelin antagonists | ABBOTT LABORTORIES (US) | 2007-04-24 | — | — | US | disclosed |