Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.50 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.50 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4352652 | 0.83 | HTT (0.53) | TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4 | |
| SCHEMBL29554593 | 0.81 | MAPT (0.52) | TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4 | |
| SCHEMBL312135 | 0.81 | MAPT (0.52) | TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4 | |
| SCHEMBL2972020 | 0.81 | TAS1R3 (0.51) | TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4 | |
| SCHEMBL703101 | 0.81 | TSHR (0.65) | TAS1R3TAS1R1TAS1R2CYP1A2TSHR | |
| SCHEMBL9585778 | 0.80 | TSHR (0.64) | TSHRMAPTMEN1PKMKMT2A | |
| SCHEMBL11405388 | 0.80 | SMN1; SMN2 (0.55) | TAS1R3TAS1R1ALDH1A1MAPTMEN1 | |
| SCHEMBL14894712 | 0.79 | TAS1R3 (0.50) | TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4 | |
| Hydrogen Sulfide SCHEMBL28759691 | 0.79 | TSHR (0.63) | TAS1R3TAS1R1TAS1R2CYP1A2TSHR | |
| SCHEMBL2467682 | 0.79 | TAS1R3 (0.50) | TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0071791-B1 | TRICHLOROMETHYLTHIOBENZYL HALIDES AND PROCESS FOR PREPARARING META OR PARA TRICHLOROMETHYLTHIOBENZYL HALIDES | BASF Aktiengesellschaft (DE) | 1985-05-08 | — | — | EP | disclosed |
| EP-0071791-A1 | Trichloromethylthiobenzyl halides and process for prepararing meta or para trichloromethylthiobenzyl halides | BASF Aktiengesellschaft (DE) | 1983-02-16 | — | — | EP | disclosed |