Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CASP1 | P29466 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL9743213 | 0.91 | TSHR (0.50) | TSHRCASP1CYP3A4ALDH1A1TDP1 | |
| Biphenyl SCHEMBL1840808 | 0.85 | ALDH1A1 (0.50) | TSHRCASP1CYP3A4ALDH1A1TDP1 | |
| SCHEMBL27363200 | 0.78 | TSHR (0.82) | TSHRCASP1ALDH1A1 | |
| SCHEMBL2765 | 0.78 | — | — | |
| SCHEMBL28124906 | 0.78 | — | — | |
| SCHEMBL9679096 | 0.77 | TSHR (0.47) | TSHRCASP1CYP3A4ALDH1A1TDP1 | |
| Ethane SCHEMBL6257492 | 0.76 | SMN1; SMN2 (0.32) | CYP3A4ALDH1A1TDP1HTTSMN1; SMN2 | |
| Benzene SCHEMBL27960086 | 0.74 | TSHR (0.75) | TSHRCASP1CYP3A4ALDH1A1GABRA1 | |
| Benzene SCHEMBL9680470 | 0.74 | TSHR (0.75) | TSHRCASP1CYP3A4ALDH1A1GABRA1 | |
| SCHEMBL1502365 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5082937-A | Gastrin or cholecystokinin antagonists | JOUVEINAL S.A. (FR) | 1992-01-21 | — | — | US | disclosed |
| EP-0420716-A2 | Benzodiazepines, process and intermediates for their preparation and their therapeutic use | JOUVEINAL S.A. (FR) | 1991-04-03 | — | — | EP | disclosed |