Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27984736 | 0.75 | ALDH1A1 (0.42) | ALDH1A1TSHRTET2 | |
| SCHEMBL4464867 | 0.74 | GAA (0.44) | ALDH1A1TSHRGAAFFAR3LCK | |
| SCHEMBL27594491 | 0.74 | ALDH1A1 (0.40) | ALDH1A1TSHRGAAFFAR3LCK | |
| SCHEMBL28712578 | 0.74 | ALDH1A1 (0.40) | ALDH1A1TSHRGAAFFAR3LCK | |
| Hydrogen Peroxide SCHEMBL3021120 | 0.73 | GAA (0.48) | ALDH1A1TSHRGAAFFAR3LCK | |
| SCHEMBL7080423 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL338771 | 0.72 | GAA (0.42) | ALDH1A1TSHRGAAFFAR3LCK | |
| Bromide SCHEMBL9125384 | 0.72 | GAA (0.42) | ALDH1A1TSHRGAAFFAR3LCK | |
| Acetic Acid SCHEMBL25259384 | 0.71 | GAA (0.46) | ALDH1A1TSHRGAAFFAR3LCK | |
| Acetic Acid SCHEMBL2928244 | 0.71 | GAA (0.46) | ALDH1A1TSHRGAAFFAR3LCK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5728869-A | Processes for the preparation of pesticides and intermediates | AMERICAN CYANAMID COMPANY (US) | 1998-03-17 | — | — | US | disclosed |
| US-5521317-A | Processes for the preparation of pesticides and intermediates | AMERICAN CYANAMID CO. (US) | 1996-05-28 | — | — | US | disclosed |
| EP-0654464-A1 | Processes for the preparation of pesticides and intermediates | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1995-05-24 | — | — | EP | disclosed |