Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | KDM4A | O75164 | 1/20 | 0.43 |
| ▸ | KDM4B | O94953 | 1/20 | 0.43 |
| ▸ | KDM5C | P41229 | 1/20 | 0.43 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29453108 | 0.81 | ALDH1A1 (0.58) | ALDH1A1GAAHSD17B10SMN1; SMN2AKR1C1 | |
| SCHEMBL28004 | 0.81 | ALDH1A1 (0.58) | ALDH1A1GAAHSD17B10SMN1; SMN2AKR1C1 | |
| SCHEMBL212547 | 0.81 | ALDH1A1 (0.57) | ALDH1A1GAAHSD17B10SMN1; SMN2KDM1A | |
| Hydrochloric Acid SCHEMBL35358 | 0.79 | ALDH1A1 (0.56) | ALDH1A1GAAHSD17B10SMN1; SMN2AKR1C1 | |
| SCHEMBL27781055 | 0.79 | SMN1; SMN2 (0.57) | ALDH1A1GAAHSD17B10SMN1; SMN2TDP1 | |
| SCHEMBL6250244 | 0.78 | ALDH1A1 (0.52) | ALDH1A1GAAHSD17B10PTGS2SMN1; SMN2 | |
| SCHEMBL6250250 | 0.78 | ALDH1A1 (0.52) | ALDH1A1GAAHSD17B10PTGS2SMN1; SMN2 | |
| SCHEMBL11795859 | 0.78 | ALDH1A1 (0.55) | ALDH1A1GAAHSD17B10PTGS2SMN1; SMN2 | |
| SCHEMBL18948643 | 0.76 | SMN1; SMN2 (0.54) | ALDH1A1GAAHSD17B10SMN1; SMN2AKR1C2 | |
| SCHEMBL1397448 | 0.76 | GAA (0.55) | ALDH1A1GAAHSD17B10SMN1; SMN2TDP1 |
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-1740551-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | Takeda Pharmaceutical Company Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105760-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-10 | — | — | WO | disclosed |