Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | IDH1 | O75874 | 1/20 | 0.43 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ILK | Q13418 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1849428 | 1.00 | ALDH1A1 (0.47) | ALDH1A1PTGS1PTGS2GFERMMP2 | |
| SCHEMBL11497856 | 1.00 | ALDH1A1 (0.47) | ALDH1A1PTGS1PTGS2GFERMMP2 | |
| SCHEMBL23030335 | 1.00 | ALDH1A1 (0.47) | ALDH1A1PTGS1PTGS2GFERMMP2 | |
| 2-(Phenylamino)Cyclohexanol SCHEMBL432131 | 0.96 | ALDH1A1 (0.51) | ALDH1A1PTGS1PTGS2GFERMMP2 | |
| 2-(Phenylamino)Cyclohexanol SCHEMBL432133 | 0.96 | ALDH1A1 (0.51) | ALDH1A1PTGS1PTGS2GFERMMP2 | |
| 2-(Phenylamino)Cyclohexanol SCHEMBL432136 | 0.96 | ALDH1A1 (0.51) | ALDH1A1PTGS1PTGS2GFERMMP2 | |
| 2-(Phenylamino)Cyclohexanol SCHEMBL432132 | 0.96 | ALDH1A1 (0.51) | ALDH1A1PTGS1PTGS2GFERMMP2 | |
| 2-(Phenylamino)Cyclohexanol SCHEMBL432135 | 0.96 | ALDH1A1 (0.51) | ALDH1A1PTGS1PTGS2GFERMMP2 | |
| SCHEMBL30887532 | 0.81 | ALDH1A1 (0.65) | ALDH1A1GFERHPGDTRPA1POLB | |
| SCHEMBL24394593 | 0.79 | IDH1 (0.47) | ALDH1A1PTGS1PTGS2IDH1POLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1768991-A1 | PROCESS FOR THE PREPARATION OF A1-ADENOSINE RECEPTOR AGONISTS | CV THERAPEUTICS, INC. (US) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006017052-A1 | PROCESS FOR THE PREPARATION OF A1 ADENOSINE RECEPTOR AGONISTS | CV THERAPEUTICS, INC. (US) | 2006-02-16 | — | — | WO | disclosed |
| US-4217362-A | Anilide derivatives as antidepressants | THE UPJOHN COMPANY (US) | 1980-08-12 | — | — | US | disclosed |
| US-4212888-A | Anilide derivatives as antidepressants | THE UPJOHN COMPANY (US) | 1980-07-15 | — | — | US | disclosed |
| US-4128663-A | Anilide derivatives as antidepressants | THE UPJOHN COMPANY (US) | 1978-12-05 | — | — | US | disclosed |