Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.48 |
| ▸ | HTR3B | O95264 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.35 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28008737 | 1.00 | HTR3E (0.48) | HTR3EHTR3BHTR2BHTR3ATMEM97 | |
| SCHEMBL28008727 | 1.00 | HTR3E (0.48) | HTR3EHTR3BHTR2BHTR3ATMEM97 | |
| SCHEMBL30160815 | 0.81 | HTR3E (0.33) | HTR3EHTR3BHTR2BHTR3ATMEM97 | |
| SCHEMBL11253381 | 0.79 | HTR2B (0.45) | HTR3EHTR3BHTR2BHTR3ATMEM97 | |
| SCHEMBL20986728 | 0.77 | HTR3E (0.46) | HTR3EHTR3BHTR2BHTR3ATMEM97 | |
| SCHEMBL20986729 | 0.77 | HTR3E (0.46) | HTR3EHTR3BHTR2BHTR3ATMEM97 | |
| SCHEMBL24710626 | 0.76 | HTR2C (0.41) | HTR3EHTR3BHTR2BHTR3ATMEM97 | |
| SCHEMBL7888297 | 0.76 | HTR2C (0.41) | HTR3EHTR3BHTR2BHTR3ATMEM97 | |
| SCHEMBL12988080 | 0.75 | OPRM1 (0.42) | LMNASMN1; SMN2MAPTKMT2AOPRM1 | |
| SCHEMBL15290736 | 0.75 | OPRM1 (0.46) | TSHRLMNASMN1; SMN2MAPTKMT2A |
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-104387315-A | Compound I and (R)-3-aminopiperidine hydrochloride II, preparation method and application in Linagliptin synthesis | 2Y CHEM LTD | 2015-03-04 | — | — | CN | disclosed |