Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.34 |
| ▸ | OXTR | P30559 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL10183321 | 0.86 | OPRM1 (0.37) | OPRM1OPRK1OPRL1MAPT | |
| SCHEMBL10183299 | 0.82 | OPRM1 (0.40) | OPRM1OPRK1OPRL1MAPT | |
| SCHEMBL10183227 | 0.82 | MAPT (0.42) | OPRM1OPRK1OPRL1KDM4EALDH1A1 | |
| SCHEMBL10184034 | 0.82 | CCKBR (0.36) | OPRM1OPRK1OPRL1 | |
| SCHEMBL10185957 | 0.82 | TSHR (0.43) | OPRM1OPRK1OPRL1CYP3A4KDM4E | |
| SCHEMBL10183337 | 0.81 | OPRM1 (0.39) | OPRM1OPRK1OPRL1MAPT | |
| SCHEMBL10183319 | 0.81 | MEN1 (0.43) | OPRM1OPRK1OPRL1KDM4EALDH1A1 | |
| SCHEMBL10183329 | 0.81 | CCKBR (0.36) | OPRM1OPRK1OPRL1 | |
| SCHEMBL10184119 | 0.80 | OPRM1 (0.37) | OPRM1OPRK1OPRL1CYP3A4MAPT | |
| SCHEMBL10183336 | 0.80 | OPRM1 (0.36) | OPRM1OPRK1OPRL1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012009678-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2012-01-19 | — | — | WO | disclosed |