Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MPO | P05164 | 2/20 | 0.45 |
| ▸ | HTR1B | P28222 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | HTR7 | P34969 | 2/20 | 0.45 |
| ▸ | HTR6 | P50406 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2987309 | 0.89 | CDK4 (0.49) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3097777 | 0.88 | KDM4E (0.52) | MAPTGAAALOX15MPOHTR1B | |
| SCHEMBL3097788 | 0.88 | KDM4E (0.52) | MAPTGAAALOX15MPOHTR1B | |
| SCHEMBL2985756 | 0.80 | SMN1; SMN2 (0.58) | MAPTCYP2C19ALOX15MPOMEN1 | |
| SCHEMBL2985752 | 0.80 | SMN1; SMN2 (0.58) | MAPTCYP2C19ALOX15MPOMEN1 | |
| SCHEMBL3086291 | 0.77 | ALDH1A1 (0.49) | ALDH1A1MAPTGAACYP1A2CYP3A4 | |
| SCHEMBL3086215 | 0.76 | ERAP1 (0.54) | — | |
| SCHEMBL23249644 | 0.75 | ALDH1A1 (0.55) | ALDH1A1MAPTGAACYP1A2CYP3A4 | |
| SCHEMBL7602497 | 0.75 | MAPT (0.59) | ALDH1A1MAPTGAACYP1A2CYP3A4 | |
| SCHEMBL2987361 | 0.75 | HTR1A (0.62) | ALDH1A1CYP1A2CYP3A4CYP2D6MPO |
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-20100247463-A1 | N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE | YU RUEY J | 2010-09-30 | — | — | US | claimed |