Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18968590 | 0.87 | KDM4E (0.62) | KDM4EALDH1A1HSD17B10NPC1HPGD | |
| SCHEMBL15474489 | 0.86 | KDM4E (0.72) | KDM4EALDH1A1HSD17B10NPC1HPGD | |
| SCHEMBL18968586 | 0.83 | KDM4E (0.55) | KDM4EALDH1A1HSD17B10NPC1HPGD | |
| SCHEMBL18968584 | 0.82 | KDM4E (0.64) | KDM4EALDH1A1HSD17B10NPC1HPGD | |
| SCHEMBL18969156 | 0.80 | ALDH1A1 (0.44) | KDM4EALDH1A1HSD17B10HPGDHTT | |
| SCHEMBL18969859 | 0.78 | ALDH1A1 (0.65) | KDM4EALDH1A1HSD17B10NPC1HPGD | |
| SCHEMBL18968589 | 0.78 | KDM4E (0.59) | KDM4EALDH1A1HSD17B10NPC1HPGD | |
| SCHEMBL12495433 | 0.77 | ALDH1A1 (0.72) | KDM4EALDH1A1HSD17B10NPC1HTT | |
| SCHEMBL18969154 | 0.77 | MAPK1 (0.59) | KDM4EALDH1A1HSD17B10NPC1HPGD | |
| SCHEMBL18969155 | 0.77 | MAPK1 (0.59) | KDM4EALDH1A1HSD17B10NPC1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017100525-A1 | SUBSTITUTED BENZIMIDAZOLIUM, PYRIDO-IMIDAZOLIUM, OR PYRAZINO-IMIDAZOLIUM COMPOUNDS AS CHEMOTHERAPEUTICS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-06-15 | — | — | WO | disclosed |