Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL862057 | 0.80 | PTGES (0.48) | PTGESRIPK1CHRM2CHRM1CHRM3 | |
| SCHEMBL9370539 | 0.74 | TSHR (0.54) | LMNATSHRTP53 | |
| SCHEMBL18945510 | 0.73 | EPHX2 (0.46) | MAOBCYP2D6CYP1A2CYP2C19LMNA | |
| SCHEMBL14638809 | 0.71 | PTGES (0.45) | PTGESRIPK1PKMCYP2D6CYP1A2 | |
| SCHEMBL29438233 | 0.70 | RIPK1 (0.47) | RIPK1MAOBCYP2D6CYP1A2CYP2C19 | |
| SCHEMBL8197902 | 0.70 | CYP1A2 (0.51) | CYP2D6CYP1A2CYP2C19LMNATSHR | |
| SCHEMBL27806504 | 0.70 | TSHR (0.41) | LMNATSHRTP53 | |
| SCHEMBL5263202 | 0.70 | TSHR (0.44) | LMNATSHRTP53 | |
| SCHEMBL18892527 | 0.69 | TAAR1 (0.54) | RIPK1LMNATSHR | |
| SCHEMBL6186387 | 0.69 | PTGES (0.59) | PTGESRIPK1PKMLMNAGRIN2D |
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-2010138490-A1 | BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2010-12-02 | — | — | WO | disclosed |