Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.66 |
| ▸ | RAB9A | P51151 | 4/20 | 0.66 |
| ▸ | TP53 | P04637 | 3/20 | 0.66 |
| ▸ | HPGD | P15428 | 3/20 | 0.66 |
| ▸ | POLB | P06746 | 3/20 | 0.66 |
| ▸ | MEN1 | O00255 | 2/20 | 0.66 |
| ▸ | PKM | P14618 | 2/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.66 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.66 |
| ▸ | RELA | Q04206 | 1/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.66 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL11903487 | 0.90 | CYP1A2 (0.54) | NPC1RAB9ATP53HPGDPOLB | |
| SCHEMBL11903652 | 0.87 | TRPV1 (0.77) | NPC1RAB9ATP53HPGDPOLB | |
| SCHEMBL11903481 | 0.84 | TRPV1 (0.72) | NPC1RAB9ATP53HPGDMEN1 | |
| SCHEMBL19970739 | 0.83 | CYP1A2 (0.60) | NPC1RAB9AHPGDPKMHTT | |
| SCHEMBL19970744 | 0.81 | CYP1A2 (0.60) | TRPV1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13329870 | 0.81 | NPC1 (0.66) | NPC1RAB9ATP53HPGDPOLB | |
| SCHEMBL11903509 | 0.81 | RUNX1 (0.70) | NPC1RAB9ATP53HPGDPOLB | |
| SCHEMBL20445328 | 0.80 | NPC1 (1.00) | NPC1RAB9ATP53HPGDPOLB | |
| SCHEMBL11903521 | 0.80 | RUNX1 (0.63) | NPC1RAB9ATP53HPGDPOLB | |
| SCHEMBL11903498 | 0.80 | TRPV1 (0.77) | NPC1RAB9ATP53HPGDPOLB |
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 |