Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27670187 | 0.98 | ALDH1A1 (0.44) | ALDH1A1HSD17B10LMNATDP1ALOX15 | |
| SCHEMBL19266457 | 0.82 | ALDH1A1 (0.42) | ALDH1A1HSD17B10LMNAALOX15MGAM | |
| SCHEMBL11147064 | 0.82 | ALDH1A1 (0.42) | ALDH1A1HSD17B10LMNATDP1ALOX15 | |
| SCHEMBL122314 | 0.81 | MGAM (0.50) | ALDH1A1HSD17B10LMNATDP1ALOX15 | |
| SCHEMBL305091 | 0.81 | SMN1; SMN2 (0.50) | ALDH1A1HSD17B10LMNAALOX15MGAM | |
| SCHEMBL4388130 | 0.81 | MGAM (0.50) | ALDH1A1HSD17B10LMNATDP1ALOX15 | |
| SCHEMBL891003 | 0.81 | MGAM (0.50) | ALDH1A1HSD17B10LMNATDP1ALOX15 | |
| SCHEMBL1233485 | 0.79 | MGAM (0.42) | ALDH1A1HSD17B10LMNATDP1ALOX15 | |
| Ammonia Solution, Strong SCHEMBL2558654 | 0.79 | SMN1; SMN2 (0.48) | ALDH1A1HSD17B10LMNATDP1ALOX15 | |
| SCHEMBL22718395 | 0.79 | MGAM (0.48) | ALDH1A1HSD17B10LMNATDP1ALOX15 |
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-2414356-A2 | PROPANE- I-SULFONIC ACID {3- [5- (4 -CHLORO-PHENYL) -1H-PYRROLO [2, 3-B] PYRIDINE-3-CARBONYL] -2, 4-DIFLUORO-PHENY L } -AMIDE COMPOSITIONS AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114928-A2 | COMPOSITIONS AND USES THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2010-10-07 | — | — | WO | disclosed |