Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NNMT | P40261 | 3/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7916701 | 0.97 | NPC1 (0.39) | ALDH1A1NPC1MAPTNNMTCYP11B2 | |
| Fumaric Acid SCHEMBL7912860 | 0.94 | NPC1 (0.34) | ALDH1A1NPC1MAPTNNMTCYP11B2 | |
| SCHEMBL7902769 | 0.88 | ALDH1A1 (0.37) | ALDH1A1NPC1MAPTNNMTCYP11B2 | |
| SCHEMBL8132944 | 0.87 | MAPT (0.36) | ALDH1A1NPC1MAPTNNMTCYP11B2 | |
| SCHEMBL7910355 | 0.85 | NPC1 (0.35) | ALDH1A1NPC1MAPTNNMTCYP11B2 | |
| SCHEMBL7903011 | 0.85 | ALDH1A1 (0.39) | ALDH1A1NPC1MAPTNNMTCYP11B2 | |
| SCHEMBL7913178 | 0.84 | NPC1 (0.38) | ALDH1A1NPC1MAPTNNMTCYP11B2 | |
| SCHEMBL7916777 | 0.82 | ALDH1A1 (0.37) | ALDH1A1NPC1MAPTNNMTCYP11B2 | |
| SCHEMBL926592 | 0.82 | NPC1 (0.37) | ALDH1A1NPC1MAPTNNMTCYP11B2 | |
| SCHEMBL7912936 | 0.79 | ADRA2A (0.45) | ALDH1A1NPC1MAPTNNMTCYP11B2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6258829-B1 | ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS | TOA EIYO LTD. (JP) | 2001-07-10 | — | — | US | disclosed |
| EP-0972767-A1 | CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME | TOA EIYO LTD. (JP) | 2000-01-19 | — | — | EP | disclosed |