Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.33 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL31258279 | 0.79 | TSHR (0.47) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL258502 | 0.79 | TSHR (0.47) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL6049258 | 0.79 | TSHR (0.47) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL541710 | 0.79 | TSHR (0.47) | TSHRACHEALDH1A1CA1CA2 | |
| Hydrochloric Acid SCHEMBL15845273 | 0.77 | TSHR (0.45) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL2154271 | 0.76 | ACHE (0.39) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL1176479 | 0.75 | TSHR (0.43) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL8647690 | 0.74 | TSHR (0.47) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL9327744 | 0.73 | CYP1A2 (0.54) | TSHRACHEALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL29357701 | 0.73 | TSHR (0.53) | TSHRACHEALDH1A1CA1CA2 |
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-5283350-A | Aryl esters of phosphonous halides and a process for the preparation thereof | HOECHST AKTIENGESELLSHAFT (DE) | 1994-02-01 | — | — | US | disclosed |