Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CHRND | Q07001 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL536349 | 0.80 | AKR1C3 (0.44) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL30231208 | 0.80 | AKR1C3 (0.44) | AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL28135500 | 0.79 | AKR1C3 (0.34) | AKR1C3AKR1C2CA1CA2LMNA | |
| SCHEMBL5082189 | 0.77 | CES2 (0.35) | DPP4CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL5082185 | 0.77 | CES2 (0.35) | DPP4CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL7882734 | 0.75 | KMT2A (0.33) | DPP4CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL5084418 | 0.75 | PSEN1 (0.35) | DPP4CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL28784595 | 0.74 | MAPT (0.35) | AKR1C3AKR1C2HPGDLMNAMAPT | |
| SCHEMBL28435707 | 0.74 | ALDH1A1 (0.35) | DPP4CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL6904784 | 0.71 | RORC (0.44) | POLBCA1CA2HPGDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-102574856-B | The synthesis of sitagliptin | 基因里克斯(英国)有限公司 | 2016-09-21 | — | — | CN | disclosed |