Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.41 |
| ▸ | MEN1 | O00255 | 7/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 5/20 | 0.41 |
| ▸ | MITF | O75030 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | APAF1 | O14727 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18968643 | 0.81 | KMT2A (0.57) | SMN1; SMN2KDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL18968635 | 0.78 | MAPK1 (0.50) | SMN1; SMN2KDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL18968650 | 0.78 | KDM4E (0.58) | SMN1; SMN2KDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL18968668 | 0.76 | HTT (0.48) | SMN1; SMN2KDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL18968636 | 0.75 | HTT (0.55) | SMN1; SMN2KDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL18968673 | 0.75 | MAPK1 (0.48) | SMN1; SMN2KDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL18968587 | 0.75 | ALDH1A1 (0.64) | SMN1; SMN2KDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL18970013 | 0.75 | KDM4E (0.54) | SMN1; SMN2KDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL18968669 | 0.74 | KMT2A (0.48) | SMN1; SMN2KDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL18968675 | 0.72 | KMT2A (0.44) | SMN1; SMN2KDM4EALDH1A1HSD17B10TSHR |
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 |