Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | CAD | P27708 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4361328 | 1.00 | ALDH1A1 (0.43) | ALDH1A1LMNAHSD17B10HPGDALOX15 | |
| SCHEMBL141446 | 0.84 | ALDH1A1 (0.53) | ALDH1A1LMNAHSD17B10HPGDALOX15 | |
| SCHEMBL8800602 | 0.81 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10HPGDALOX15 | |
| SCHEMBL28186389 | 0.81 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10HPGDALOX15 | |
| Ammonia Solution, Strong SCHEMBL28791130 | 0.81 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10HPGDALOX15 | |
| Ethane SCHEMBL9181718 | 0.81 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10HPGDALOX15 | |
| SCHEMBL5143571 | 0.79 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10HPGDALOX15 | |
| SCHEMBL2169170 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10HPGDALOX15 | |
| SCHEMBL4112176 | 0.77 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10HPGDALOX15 | |
| SCHEMBL41804 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10HPGDALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2200615-A1 | A3 ADENOSINE RECEPTOR ANTAGONISTS | Gilead Palo Alto, Inc. (US) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009052310-A1 | A3 ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC (US) | 2009-04-23 | — | — | WO | disclosed |