Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10951917 | 0.91 | PKM (0.41) | ALDH1A1CYP4F2CYP4A11LMNAHSD17B10 | |
| SCHEMBL1562266 | 0.88 | CYP4F2 (0.41) | ALDH1A1CYP4F2CYP4A11LMNAHSD17B10 | |
| SCHEMBL28869251 | 0.88 | ALDH1A1 (0.44) | ALDH1A1CYP4F2CYP4A11LMNAHSD17B10 | |
| SCHEMBL29368990 | 0.82 | PKM (0.50) | ALDH1A1CYP4F2CYP4A11LMNAHSD17B10 | |
| SCHEMBL27641879 | 0.79 | CYP4F2 (0.50) | ALDH1A1CYP4F2CYP4A11LMNAHSD17B10 | |
| SCHEMBL14152741 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP4F2CYP4A11LMNAHSD17B10 | |
| SCHEMBL3430619 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP4F2CYP4A11LMNAHSD17B10 | |
| SCHEMBL5491673 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP4F2CYP4A11LMNAHSD17B10 | |
| SCHEMBL12386545 | 0.77 | CYP4F2 (0.44) | ALDH1A1CYP4F2CYP4A11LMNAHSD17B10 | |
| SCHEMBL5874377 | 0.77 | CYP4F2 (0.44) | ALDH1A1CYP4F2CYP4A11LMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109738413-A | Mixture Raman spectra qualitative analysis method based on sparse non-negative least square | 江南大学 | 2019-05-10 | — | — | CN | disclosed |