Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.72 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.58 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.58 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.55 |
| ▸ | RARB | P10826 | 3/20 | 0.55 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13693158 | 0.97 | SMPD1 (0.68) | SMPD1HTTALDH1A1HPGDTP53 | |
| SCHEMBL10782030 | 0.87 | ALDH1A1 (0.63) | SMPD1ALDH1A1HPGDTP53TSHR | |
| Vanillic Acid SCHEMBL31550980 | 0.87 | HTT (0.81) | SMPD1HTTTSHRPLA2G4B | |
| Vanillic Acid SCHEMBL31550988 | 0.87 | HTT (0.81) | SMPD1HTTTSHRPLA2G4B | |
| SCHEMBL7336764 | 0.87 | ALDH1A1 (0.67) | SMPD1ALDH1A1HPGDTP53TSHR | |
| SCHEMBL27962843 | 0.86 | SMPD1 (0.67) | SMPD1 | |
| Vanillic Acid SCHEMBL31550996 | 0.86 | HTT (0.78) | SMPD1HTTTSHRPLA2G4B | |
| SCHEMBL1199847 | 0.85 | ALDH1A1 (0.69) | SMPD1ALDH1A1HPGDTP53TSHR | |
| SCHEMBL1199892 | 0.85 | ALDH1A1 (0.69) | SMPD1ALDH1A1HPGDTP53TSHR | |
| SCHEMBL1200986 | 0.85 | ALDH1A1 (0.69) | SMPD1ALDH1A1HPGDTP53TSHR |
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-6017919-A | Compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0887340-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 1998-12-30 | — | — | EP | disclosed |