Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27613183 | 0.90 | MMP8 (0.41) | CTSSCTSKLTA4HMAPTCYP3A4 | |
| SCHEMBL27765204 | 0.85 | MAPT (0.40) | ALDH1A1CTSSCTSKLTA4HMAPT | |
| SCHEMBL28031607 | 0.85 | CTSK (0.39) | ALDH1A1KMT2ACTSSCTSKLTA4H | |
| SCHEMBL27809617 | 0.84 | CTSS (0.43) | ALDH1A1KMT2ACTSSCTSKITGA4 | |
| SCHEMBL27875653 | 0.83 | AAK1 (0.38) | ALDH1A1KMT2ACTSSCTSKITGA4 | |
| SCHEMBL27894672 | 0.83 | AAK1 (0.38) | ALDH1A1KMT2ACTSSCTSKITGA4 | |
| SCHEMBL27665873 | 0.81 | DPP4 (0.42) | ALDH1A1KMT2ACTSSCTSKMEN1 | |
| SCHEMBL27564999 | 0.81 | DPP4 (0.42) | ALDH1A1KMT2ACTSSCTSKMEN1 | |
| SCHEMBL4937584 | 0.81 | DPP4 (0.42) | ALDH1A1KMT2ACTSSCTSKMEN1 | |
| SCHEMBL28837744 | 0.80 | DPP4 (0.41) | ALDH1A1KMT2ACTSSCTSKLTA4H |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5026642-A | Process for the enzymatic production of ketones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-06-25 | — | — | US | disclosed |