Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL20473345 | 0.85 | ALDH1A1 (0.43) | HSD17B10SMN1; SMN2MAPTHTTALDH1A1 | |
| SCHEMBL3383070 | 0.79 | ALDH1A1 (0.42) | HSD17B10SMN1; SMN2MAPTHTTALDH1A1 | |
| SCHEMBL22912542 | 0.78 | ALDH1A1 (0.37) | HSD17B10SMN1; SMN2MAPTHTTALDH1A1 | |
| SCHEMBL28169817 | 0.76 | ALDH1A1 (0.36) | HSD17B10SMN1; SMN2MAPTHTTALDH1A1 | |
| SCHEMBL15567887 | 0.76 | ALDH1A1 (0.36) | HSD17B10SMN1; SMN2MAPTHTTALDH1A1 | |
| SCHEMBL29262224 | 0.72 | ALDH1A1 (0.43) | HSD17B10MAPTALDH1A1LMNAALOX15 | |
| SCHEMBL14715925 | 0.72 | ALDH1A1 (0.43) | HSD17B10MAPTHTTALDH1A1LMNA | |
| SCHEMBL2301890 | 0.71 | ALDH1A1 (0.39) | HSD17B10SMN1; SMN2MAPTHTTALDH1A1 | |
| SCHEMBL20456817 | 0.71 | HSD17B10 (0.39) | HSD17B10SMN1; SMN2MAPTHTTALDH1A1 | |
| SCHEMBL6049861 | 0.70 | ALDH1A1 (0.42) | HSD17B10ALDH1A1LMNAALOX15PIN1 |
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-1597261-A1 | SUBSTITUTED AMINO HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2005-11-23 | — | — | EP | disclosed |
| WO-2004074290-A1 | SUBSTITUTED AMINO HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2004-09-02 | — | — | WO | disclosed |