Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 11/20 | 0.52 |
| ▸ | TTR | P02766 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 4/20 | 0.50 |
| ▸ | TGM2 | P21980 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7300292 | 0.80 | CES1 (0.57) | CES1TTRBCHETGM2ALDH1A1 | |
| SCHEMBL30229556 | 0.77 | CES1 (0.53) | CES1TTRBCHETGM2ALDH1A1 | |
| SCHEMBL9550323 | 0.76 | CA12 (0.43) | ALDH1A1 | |
| SCHEMBL9143697 | 0.76 | CA12 (0.43) | ALDH1A1 | |
| SCHEMBL1749687 | 0.72 | CES1 (0.57) | CES1TTRBCHETGM2ALDH1A1 | |
| SCHEMBL31492057 | 0.72 | CES1 (0.57) | CES1TTRBCHETGM2ALDH1A1 | |
| SCHEMBL17818354 | 0.72 | CES1 (0.57) | CES1TTRBCHETGM2ALDH1A1 | |
| SCHEMBL31634050 | 0.72 | CES1 (0.57) | CES1TTRBCHETGM2ALDH1A1 | |
| SCHEMBL9179240 | 0.72 | MAOA (0.70) | CES1BCHETGM2ALDH1A1CES2 | |
| SCHEMBL27848668 | 0.72 | CES1 (0.47) | CES1TTRBCHETGM2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5151518-A | N-arylation of isatins | ABBOTT LABORATORIES (US) | 1992-09-29 | — | — | US | disclosed |