Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 9/20 | 0.79 |
| ▸ | BCHE | P06276 | 3/20 | 0.79 |
| ▸ | TGM2 | P21980 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.65 |
| ▸ | ALDH3A1 | P30838 | 6/20 | 0.65 |
| ▸ | ALDH2 | P05091 | 4/20 | 0.65 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.65 |
| ▸ | CDC25A | P30304 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | TTR | P02766 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9247204 | 0.95 | CES1 (0.71) | CES1BCHETGM2ALDH1A1ALDH3A1 | |
| SCHEMBL19924204 | 0.88 | CES1 (1.00) | CES1BCHETGM2ALDH1A1ALDH3A1 | |
| SCHEMBL5999219 | 0.85 | CES1 (0.79) | CES1BCHETGM2ALDH1A1ALDH3A1 | |
| SCHEMBL25119569 | 0.85 | CES1 (0.85) | CES1BCHETGM2ALDH1A1ALDH3A1 | |
| SCHEMBL6258757 | 0.85 | CES1 (0.71) | CES1BCHETGM2ALDH1A1ALDH3A1 | |
| SCHEMBL25119255 | 0.83 | CES1 (0.84) | CES1BCHETGM2ALDH1A1ALDH3A1 | |
| SCHEMBL281511 | 0.83 | CES1 (0.89) | CES1BCHETGM2ALDH1A1ALDH3A1 | |
| SCHEMBL7824511 | 0.81 | CES1 (0.79) | CES1BCHETGM2ALDH1A1ALDH3A1 | |
| SCHEMBL3016508 | 0.81 | CES1 (0.79) | CES1BCHETGM2ALDH1A1ALDH3A1 | |
| SCHEMBL10685462 | 0.81 | CES1 (1.00) | CES1BCHETGM2ALDH1A1ALDH3A1 |
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 |