Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL4592876 | 0.79 | KIF11 (0.35) | KIF11TSHRACHE | |
| Benzene SCHEMBL4593432 | 0.79 | TSHR (0.38) | TSHR | |
| Chlorobenzene SCHEMBL4593782 | 0.75 | TSHR (0.35) | CYP19A1KIF11TSHR | |
| Bromobenzene SCHEMBL4593844 | 0.74 | ALDH1A1 (0.34) | — | |
| Diphenylether SCHEMBL4592882 | 0.73 | LTA4H (0.36) | TSHR | |
| SCHEMBL8987735 | 0.66 | ESR1 (0.41) | CYP19A1TSHR | |
| SCHEMBL2816468 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL198144 | 0.64 | KCNN4 (0.32) | TSHR | |
| SCHEMBL16975529 | 0.64 | KIF11 (0.37) | KIF11TSHRACHE | |
| SCHEMBL9872415 | 0.62 | KCNN4 (0.35) | — |
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 4 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 | claimed |
| 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 | claimed |
| 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 |