Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 7/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 7/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.35 |
| ▸ | PPARG | P37231 | 3/20 | 0.34 |
| ▸ | PPARD | Q03181 | 3/20 | 0.34 |
| ▸ | PPARA | Q07869 | 3/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.33 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5046490 | 0.85 | ALDH1A1 (0.39) | ALDH1A1KDM4ENPC1MAPTPKM | |
| SCHEMBL5040963 | 0.77 | KDM4E (0.42) | ALDH1A1KDM4ENPC1MAPTPKM | |
| SCHEMBL5048811 | 0.76 | SPHK1 (0.42) | ALDH1A1KDM4ENPC1MAPTPKM | |
| SCHEMBL1858451 | 0.76 | SPHK1 (0.41) | ALDH1A1KDM4ENPC1MAPTPKM | |
| SCHEMBL5046496 | 0.75 | SPHK1 (0.41) | ALDH1A1KDM4ENPC1MAPTPKM | |
| SCHEMBL6719952 | 0.73 | SPHK1 (0.39) | ALDH1A1KDM4ENPC1MAPTPKM | |
| SCHEMBL1852681 | 0.72 | SPHK1 (0.42) | ALDH1A1KDM4ENPC1MAPTPKM | |
| SCHEMBL5044735 | 0.72 | PPARG (0.44) | ALDH1A1KDM4ENPC1MAPTPKM | |
| SCHEMBL5039869 | 0.71 | PPARG (0.43) | ALDH1A1KDM4ENPC1MAPTPKM | |
| SCHEMBL6802901 | 0.71 | ALDH1A1 (0.41) | ALDH1A1KDM4ENPC1MAPTPKM |
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-1470102-A1 | SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) | Applied Research Systems ARS Holding N.V. (AN) | 2004-10-27 | — | — | EP | disclosed |
| WO-2003064376-A1 | SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2003-08-07 | — | — | WO | disclosed |