Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | SCN4A | P35499 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 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 | |
|---|---|---|---|---|
| SCHEMBL93412 | 0.72 | MEN1 (0.35) | OPRM1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL1260071 | 0.72 | OPRM1 (0.37) | OPRM1HTR2ACACNA1FALDH1A1MAPT | |
| SCHEMBL1148182 | 0.68 | MMP2 (0.41) | OPRM1KMT2AALDH1A1CYP2C9BLM | |
| SCHEMBL15524924 | 0.68 | OPRM1 (0.38) | OPRM1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL28487408 | 0.67 | OPRM1 (0.33) | OPRM1HTR2ACACNA1FALDH1A1MAPT | |
| SCHEMBL74066 | 0.65 | OPRM1 (0.36) | OPRM1MEN1KMT2AALDH1A1CYP2C9 | |
| SCHEMBL1698175 | 0.65 | CA1 (0.37) | OPRM1OPRK1OPRL1CFTRGOPC | |
| SCHEMBL19915014 | 0.64 | OPRM1 (0.34) | OPRM1ALDH1A1KCNH2MMP2MMP9 | |
| SCHEMBL5028816 | 0.64 | GAA (0.39) | OPRM1RAB9AALDH1A1MAPTTSHR | |
| SCHEMBL7132657 | 0.64 | LMNA (0.33) | OPRM1CYP2C9LMNAMAOBMAOA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105541793-A | Synthetic method of trelagliptin, trelagliptin synthesized through method and trelagliptin synthesis intermediate | HEBEI GUOLONG PHARMACEUTICAL CO LTD | 2016-05-04 | — | — | CN | claimed |
| CN-105541793-A | Synthetic method of trelagliptin, trelagliptin synthesized through method and trelagliptin synthesis intermediate | HEBEI GUOLONG PHARMACEUTICAL CO LTD | 2016-05-04 | — | — | CN | disclosed |