Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL4593432 | 0.87 | TSHR (0.38) | ALDH1A1 | |
| Chlorobenzene SCHEMBL4593782 | 0.83 | TSHR (0.35) | MAPK1NR1H2NR1H3 | |
| Diphenylether SCHEMBL4592882 | 0.80 | LTA4H (0.36) | NR1H2 | |
| O-Xylene SCHEMBL4593695 | 0.74 | CYP19A1 (0.34) | — | |
| Toluene SCHEMBL4592876 | 0.72 | KIF11 (0.35) | ALDH1A1 | |
| SCHEMBL11874130 | 0.71 | TSHR (0.48) | ALDH1A1TDP1MAPK1 | |
| SCHEMBL198144 | 0.69 | KCNN4 (0.32) | ALDH1A1 | |
| SCHEMBL8987735 | 0.67 | ESR1 (0.41) | ALDH1A1MAPK1 | |
| SCHEMBL4460794 | 0.66 | CYP2A6 (0.50) | ALDH1A1TDP1MAPK1 | |
| SCHEMBL2816468 | 0.66 | ALDH1A1 (0.39) | ALDH1A1MAPK1 |
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-1937257-A1 | NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES | Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007037685-A1 | NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 2007-04-05 | — | — | WO | disclosed |