Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL4593782 | 0.88 | TSHR (0.35) | TSHRCYP1A2 | |
| Bromobenzene SCHEMBL4593844 | 0.87 | ALDH1A1 (0.34) | ALDH1A1 | |
| Diphenylether SCHEMBL4592882 | 0.85 | LTA4H (0.36) | TSHR | |
| Toluene SCHEMBL4592876 | 0.83 | KIF11 (0.35) | TSHRALDH1A1MAPTHPGD | |
| Trifluoromethylbenzene SCHEMBL2008501 | 0.81 | TSHR (0.41) | TSHRALDH1A1HPGD | |
| SCHEMBL198144 | 0.80 | KCNN4 (0.32) | TSHRALDH1A1 | |
| O-Xylene SCHEMBL4593695 | 0.79 | CYP19A1 (0.34) | TSHR | |
| SCHEMBL8987735 | 0.78 | ESR1 (0.41) | TSHRALDH1A1MAPT | |
| SCHEMBL2816468 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MAPT | |
| SCHEMBL28872444 | 0.77 | KCNN4 (0.48) | — |
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 |