Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL13338132 | 0.92 | APP (0.52) | APPCES1ACHETAAR1DDB1 | |
| Cyclopropane SCHEMBL28538522 | 0.84 | APP (0.64) | APPSLC6A4SLC6A3SLC6A2TSHR | |
| SCHEMBL20800879 | 0.82 | SLC18A3 (0.41) | APPDDB1CRBNTRPA1ALDH1A1 | |
| SCHEMBL20800882 | 0.82 | ACHE (0.65) | APPCES1ACHETAAR1TSHR | |
| SCHEMBL307380 | 0.82 | CES1 (0.49) | APPSLC6A4SLC6A2CES1TSHR | |
| SCHEMBL25354186 | 0.80 | APP (0.43) | APPCES1ACHETAAR1DDB1 | |
| SCHEMBL20800878 | 0.80 | SLC18A3 (0.42) | APPDDB1CRBNTRPA1ALDH1A1 | |
| SCHEMBL5998627 | 0.78 | CHRM5 (0.52) | APPSLC6A2CES1TAAR1ALOX15 | |
| SCHEMBL10031935 | 0.78 | APP (0.76) | APPALOX15KCNH2 | |
| SCHEMBL22681645 | 0.78 | RXRA (0.41) | APPSLC6A4SLC6A3SLC6A2CES1 |
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-2001096283-A9 | HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2002-10-17 | — | — | WO | disclosed |