Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL27503341 | 0.85 | ALDH1A1 (0.41) | ALDH1A1TDP1HSD17B10LMNAALOX15 | |
| SCHEMBL7672142 | 0.83 | TDP1 (0.42) | ALDH1A1TDP1HSD17B10LMNAALOX15 | |
| SCHEMBL2454280 | 0.83 | MGAM (0.46) | ALDH1A1TDP1HSD17B10LMNAALOX15 | |
| Ethane SCHEMBL28133876 | 0.81 | MGAM (0.44) | ALDH1A1TDP1HSD17B10LMNAALOX15 | |
| SCHEMBL6516731 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TDP1HSD17B10LMNAALOX15 | |
| SCHEMBL27210229 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TDP1GAAMGAMSI | |
| SCHEMBL2303261 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TDP1HSD17B10LMNAALOX15 | |
| SCHEMBL17617141 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TDP1HSD17B10LMNAALOX15 | |
| SCHEMBL13575648 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TDP1HSD17B10LMNAALOX15 | |
| SCHEMBL5614105 | 0.78 | ALDH1A1 (0.34) | ALDH1A1TDP1HSD17B10LMNAALOX15 |
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-1451174-A2 | PROCESS FOR THE PREPARATION OF COMPOSITIONS HAVING AN INCREASED AMOUNT OF PHARMACEUTICALLY ACTIVE SALTS OF ROTAMERS | SCHERING CORPORATION (US) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003048153-A1 | PROCESS FOR THE PREPARATION OF COMPOSITIONS HAVING AN INCREASED AMOUNT OF PHARMACEUTICALLY ACTIVE SALTS OF ROTAMERS | SCHERING CORPORATION (US) | 2003-06-12 | — | — | WO | disclosed |