Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1237453 | 0.82 | KMT2A (0.42) | KMT2ATSHRHSD17B10KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL3987325 | 0.80 | KMT2A (0.41) | KMT2ATSHRHSD17B10KDM4EHPGD | |
| SCHEMBL6829989 | 0.79 | TSHR (0.46) | KMT2ATSHRHSD17B10ALDH1A1GAA | |
| SCHEMBL9621660 | 0.78 | ALDH1A1 (0.44) | TSHRHSD17B10KDM4EHPGDNAPRT | |
| SCHEMBL918997 | 0.78 | ORAI1 (0.42) | TSHRHSD17B10NAPRTCES2CES1 | |
| Biphenyl SCHEMBL28688628 | 0.78 | MGLL (0.43) | KMT2ATSHRHSD17B10KDM4EHPGD | |
| SCHEMBL384013 | 0.74 | ORAI1 (0.42) | TSHRNAPRTCES2CES1ALDH1A1 | |
| SCHEMBL1712461 | 0.73 | ELANE (0.46) | TSHRHSD17B10KDM4EHPGDNAPRT | |
| SCHEMBL3871760 | 0.73 | KMT2A (0.47) | KMT2AHSD17B10HPGDALDH1A1GAA | |
| SCHEMBL28291707 | 0.72 | MGLL (0.51) | KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1678138-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | Takeda Pharmaceutical Company Limited (JP) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042488-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-05-12 | — | — | WO | disclosed |