Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | APEX1 | P27695 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.38 |
| ▸ | KDM4A | O75164 | 2/20 | 0.38 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3987074 | 0.80 | GABRP (0.39) | KDM4CMAPTBLMTET2KDM4A | |
| SCHEMBL15155706 | 0.80 | GABRP (0.39) | CYP3A4HSD17B10KDM4CKDM4EAPEX1 | |
| SCHEMBL28048592 | 0.80 | GABRP (0.39) | CYP3A4HSD17B10KDM4CKDM4EAPEX1 | |
| SCHEMBL28228203 | 0.77 | GABRP (0.33) | NPSR1PDE2A | |
| SCHEMBL28696572 | 0.77 | S1PR2 (0.38) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| SCHEMBL11495829 | 0.76 | CES2 (0.46) | CYP3A4ALDH1A1CYP2D6CPA3 | |
| SCHEMBL30446707 | 0.76 | ADRA2A (0.44) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| SCHEMBL22206862 | 0.76 | ADRA2A (0.44) | ADRA2AADRA2BADRA2CADRA1AADRB2 | |
| SCHEMBL7438770 | 0.74 | FFAR1 (0.42) | KDM4EMAPTADRB1ADRB3ALDH1A1 | |
| SCHEMBL9671363 | 0.73 | ADRB2 (0.41) | ADRA2AADRA2BADRA2CADRA1AADRB2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106966940-B | A kind of preparation method of Sitagliptin phosphate intermediate N arylmethyl -2S- cyano methyl acridine | 新发药业有限公司 | 2019-03-19 | — | — | CN | disclosed |
| CN-105061434-B | Preparation method of sitagliptin phosphate | 新发药业有限公司 | 2017-07-21 | — | — | CN | disclosed |
| CN-106966940-A | A kind of preparation method of Sitagliptin phosphate intermediate N arylmethyls 2S cyano methyl acridines | 新发药业有限公司 | 2017-07-21 | — | — | CN | disclosed |
| CN-105061434-A | Low-cost preparation method of sitagliptin phosphate | XINFA PHARMACEUTICAL CO LTD | 2015-11-18 | — | — | CN | disclosed |
| CN-104987338-A | Low cost method for preparing sitagliptin phosphate salt key intermediate | XINFA PHARMACEUTICAL CO LTD | 2015-10-21 | — | — | CN | disclosed |