Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR1E | P28566 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.36 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.36 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8251665 | 0.85 | PTGS2 (0.57) | PTGS2PTGS1GPBAR1NPSR1RAB9A | |
| SCHEMBL8249375 | 0.82 | HTR7 (0.43) | HTR7PTGS2PTGS1GPBAR1RAB9A | |
| SCHEMBL8249557 | 0.81 | PAX8 (0.38) | PTGS2PTGS1RAB9AKDM4ECACNA1F | |
| SCHEMBL8250264 | 0.79 | HTT (0.42) | PTGS2NPSR1RAB9AMAPTKDM4E | |
| SCHEMBL8243215 | 0.77 | GPBAR1 (0.43) | HTR7PTGS2PTGS1GPBAR1CACNA1F | |
| SCHEMBL8252451 | 0.75 | TP53 (0.46) | PTGS2GPBAR1RAB9AMAPTALDH1A1 | |
| SCHEMBL10262365 | 0.71 | PTGS2 (0.47) | HTR1DHTR2AHTR2CHTR1EHTR7 | |
| SCHEMBL13356499 | 0.67 | ACHE (0.35) | NPSR1RAB9AMAPTALDH1A1LMNA | |
| SCHEMBL11515850 | 0.66 | GPBAR1 (0.59) | GPBAR1LMNAGAAHTTMEN1 | |
| SCHEMBL25149515 | 0.65 | PTGS2 (0.86) | PTGS2PTGS1NPSR1MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007002214-A2 | ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |