Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.64 |
| ▸ | HPGD | P15428 | 6/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 4/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | KDR | P35968 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL15474489 | 0.81 | KDM4E (0.72) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL12495433 | 0.79 | ALDH1A1 (0.72) | ALDH1A1KDM4EHSD17B10TSHRKMT2A | |
| SCHEMBL18968584 | 0.79 | KDM4E (0.64) | ALDH1A1KDM4EHSD17B10HPGDTP53 | |
| SCHEMBL2607462 | 0.78 | ALDH1A1 (0.63) | ALDH1A1KDM4EHSD17B10HPGDTP53 | |
| SCHEMBL18968590 | 0.77 | KDM4E (0.62) | ALDH1A1KDM4EHSD17B10HPGDTP53 | |
| SCHEMBL18968594 | 0.77 | KDM4E (0.80) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL6281649 | 0.76 | ALDH1A1 (0.69) | ALDH1A1KDM4EHSD17B10HPGDTP53 | |
| SCHEMBL1899657 | 0.75 | KDM4E (0.75) | KDM4ETP53TSHRLMNAALOX15 | |
| SCHEMBL5121884 | 0.75 | KDM4E (0.67) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL8268180 | 0.75 | KDM4E (0.67) | ALDH1A1KDM4EHSD17B10HPGDTSHR |
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 |