Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 12/20 | 0.75 |
| ▸ | NPSR1 | Q6W5P4 | 11/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.75 |
| ▸ | MITF | O75030 | 7/20 | 0.75 |
| ▸ | HTT | P42858 | 7/20 | 0.75 |
| ▸ | MEN1 | O00255 | 7/20 | 0.72 |
| ▸ | LMNA | P02545 | 6/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.72 |
| ▸ | TP53 | P04637 | 2/20 | 0.72 |
| ▸ | NPC1 | O15118 | 2/20 | 0.71 |
| ▸ | RAB9A | P51151 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 8/20 | 0.70 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.58 |
| ▸ | XBP1 | P17861 | 3/20 | 0.58 |
| ▸ | APAF1 | O14727 | 1/20 | 0.58 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | IDE | P14735 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL18968700 | 0.91 | MAPK1 (0.81) | MAPK1NPSR1KMT2AMITFHTT | |
| SCHEMBL18970009 | 0.91 | MAPK1 (0.81) | MAPK1NPSR1KMT2AMITFHTT | |
| SCHEMBL18968682 | 0.87 | MAPK1 (0.81) | MAPK1NPSR1KMT2AMITFHTT | |
| SCHEMBL26812164 | 0.87 | MAPK1 (0.77) | MAPK1NPSR1KMT2AMITFHTT | |
| SCHEMBL18969198 | 0.87 | MAPK1 (0.77) | MAPK1NPSR1KMT2AMITFHTT | |
| SCHEMBL18968624 | 0.87 | MAPK1 (0.77) | MAPK1NPSR1KMT2AMITFHTT | |
| SCHEMBL18968683 | 0.86 | MAPK1 (0.83) | MAPK1NPSR1KMT2AMITFHTT | |
| SCHEMBL18969964 | 0.86 | MAPK1 (0.83) | MAPK1NPSR1KMT2AMITFHTT | |
| SCHEMBL18968558 | 0.86 | MAPK1 (0.98) | MAPK1NPSR1KMT2AMITFHTT | |
| SCHEMBL18968688 | 0.86 | MAPK1 (0.98) | MAPK1NPSR1KMT2AMITFHTT |
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 |