Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPY1R | P25929 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5729233 | 0.84 | NPY1R (0.41) | ALDH1A1HPGDKDM4EHSD17B10RAB9A | |
| SCHEMBL5728961 | 0.77 | NPY1R (0.51) | ALDH1A1HPGDKDM4EHSD17B10RAB9A | |
| SCHEMBL7044659 | 0.72 | NPY1R (0.54) | ALDH1A1HPGDKDM4EHSD17B10LMNA | |
| SCHEMBL7040993 | 0.72 | NPY1R (0.54) | ALDH1A1HPGDKDM4EHSD17B10LMNA | |
| SCHEMBL7045624 | 0.71 | NPY1R (0.54) | ALDH1A1HPGDKDM4EHSD17B10LMNA | |
| SCHEMBL27583934 | 0.70 | NPY1R (0.47) | ALDH1A1HPGDKDM4EHSD17B10RAB9A | |
| SCHEMBL9884901 | 0.67 | KDM1A (0.38) | ALDH1A1KDM4ETP53NPC1MEN1 | |
| SCHEMBL24418600 | 0.67 | RAB9A (0.53) | ALDH1A1KDM4ERAB9ALMNANPC1 | |
| SCHEMBL13055387 | 0.66 | EPHX1 (0.53) | ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL9884985 | 0.66 | ATM (0.36) | ALDH1A1KDM4ELMNADNM2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218381-B1 | AMINO SUBSTITUTED PYRAZOLO¬1,5-a|-1,5-PYRIMIDINES AND PYRAZOLO¬1,5-a|-1,3,5-TRIAZINES | NEUROGEN CORP (US) | 2006-12-06 | — | — | EP | disclosed |
| US-6476038-B1 | Amino substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo[1,5-a]-1,3,5-triazines | NEUROGEN CORPORATION | 2002-11-05 | — | — | US | disclosed |
| EP-1218381-A2 | AMINO SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES | NEUROGEN CORPORATION (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001023388-A2 | AMINO SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES | NEUROGEN CORPORATION (US) | 2001-04-05 | — | — | WO | disclosed |