Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CCKAR | P32238 | 2/20 | 0.33 |
| ▸ | CCKBR | P32239 | 2/20 | 0.33 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 8/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10183669 | 0.87 | CCKBR (0.41) | OPRM1OPRK1OPRL1LMNATP53 | |
| SCHEMBL10183927 | 0.86 | OPRM1 (0.36) | OPRM1OPRK1OPRL1LMNATP53 | |
| SCHEMBL10185589 | 0.86 | TP53 (0.34) | NPC1OPRM1OPRK1OPRL1LMNA | |
| SCHEMBL10183782 | 0.86 | OPRM1 (0.40) | OPRM1OPRK1OPRL1LMNATP53 | |
| SCHEMBL10183654 | 0.85 | IDH1 (0.38) | NPC1CYP1A2POLBCYP3A4GAA | |
| SCHEMBL10183764 | 0.85 | TP53 (0.34) | NPC1CYP1A2POLBCYP3A4GAA | |
| SCHEMBL10184071 | 0.84 | OPRM1 (0.37) | NPC1OPRM1OPRK1OPRL1LMNA | |
| SCHEMBL10183299 | 0.84 | OPRM1 (0.40) | OPRM1OPRK1OPRL1LMNATP53 | |
| SCHEMBL10183677 | 0.83 | NPC1 (0.34) | NPC1OPRM1OPRK1OPRL1LMNA | |
| SCHEMBL10183337 | 0.83 | OPRM1 (0.39) | NPC1OPRM1OPRK1OPRL1LMNA |
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 |