Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.57 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.46 |
| ▸ | RUNX1 | Q01196 | 6/20 | 0.45 |
| ▸ | CBFB | Q13951 | 3/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.41 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.40 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11903474 | 0.90 | TRPV1 (0.71) | TRPV1CHEK2RUNX1CBFBKDM4E | |
| SCHEMBL11903464 | 0.86 | TRPV1 (0.60) | TRPV1CHEK2RUNX1CBFBDHODH | |
| SCHEMBL11903494 | 0.85 | TRPV1 (0.62) | TRPV1CHEK2RUNX1CBFBKDM4E | |
| SCHEMBL11903440 | 0.85 | TRPV1 (0.58) | TRPV1CHEK2RUNX1CBFBDHODH | |
| SCHEMBL11903647 | 0.85 | TRPV1 (0.62) | TRPV1CHEK2RUNX1CBFBKDM4E | |
| SCHEMBL11903477 | 0.85 | TRPV1 (0.57) | TRPV1CHEK2RUNX1CBFBDHODH | |
| SCHEMBL11903515 | 0.85 | TRPV1 (0.58) | TRPV1CHEK2RUNX1CBFBDHODH | |
| SCHEMBL13305849 | 0.82 | TRPV1 (0.55) | TRPV1CHEK2RUNX1CBFBHDAC3 | |
| SCHEMBL11903531 | 0.82 | TRPV1 (0.58) | TRPV1CHEK2RUNX1CBFBDHODH | |
| SCHEMBL1664917 | 0.81 | CHEK2 (0.56) | TRPV1CHEK2RUNX1DHODHKDM4E |
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-8293780-B1 | Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making | U.S. DEPARTMENT OF ENERGY (US) | 2012-10-23 | — | — | US | disclosed |
| US-8242284-B1 | Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 2012-08-14 | — | — | US | disclosed |