Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR1E | P28566 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14872331 | 0.79 | SLC6A4 (0.44) | CYP3A4SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL10982263 | 0.78 | TAAR1 (0.50) | CYP3A4ALDH1A1KDM4EMAPTHTR1A | |
| SCHEMBL940822 | 0.78 | ALDH1A1 (0.55) | CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12305665 | 0.77 | HSD17B10 (0.44) | CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27776757 | 0.77 | CYP3A4 (0.67) | CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12295392 | 0.76 | SLC6A4 (0.42) | CYP3A4SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL23639185 | 0.74 | ALDH1A1 (0.46) | CYP3A4ALDH1A1KDM4EMAPTTSHR | |
| SCHEMBL13339967 | 0.74 | KDM4E (0.52) | CYP3A4SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL4835197 | 0.74 | GAA (0.46) | ALDH1A1SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL10618918 | 0.73 | ALDH1A1 (0.50) | CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3 |
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 |