Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 5/20 | 0.49 |
| ▸ | MITF | O75030 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | APAF1 | O14727 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | IDE | P14735 | 1/20 | 0.45 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
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 | 0.91 | KMT2A (0.57) | MAPK1ALDH1A1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL18968636 | 0.87 | HTT (0.55) | MAPK1ALDH1A1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL18968673 | 0.87 | MAPK1 (0.48) | MAPK1ALDH1A1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL18968650 | 0.83 | KDM4E (0.58) | ALDH1A1MAPTKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL18968669 | 0.81 | KMT2A (0.48) | MAPK1ALDH1A1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL18968675 | 0.78 | KMT2A (0.44) | MAPK1ALDH1A1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL18968668 | 0.78 | HTT (0.48) | MAPK1ALDH1A1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL18968671 | 0.78 | SMN1; SMN2 (0.47) | MAPK1ALDH1A1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL18970013 | 0.76 | KDM4E (0.54) | ALDH1A1MAPTKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL18968628 | 0.76 | MAPK1 (0.86) | MAPK1ALDH1A1MAPTKMT2ASMN1; SMN2 |
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 |