Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4061339 | 0.86 | HRH3 (0.37) | HRH3KDM4EALDH1A1ENPP2 | |
| SCHEMBL13748854 | 0.86 | SLC6A9 (0.43) | HRH3SMN1; SMN2KDM4EALDH1A1KMT2A | |
| SCHEMBL4069491 | 0.85 | HTT (0.39) | HRH3SMN1; SMN2KDM4EALDH1A1KMT2A | |
| SCHEMBL4067642 | 0.84 | SLC6A9 (0.43) | HRH3SMN1; SMN2KDM4EALDH1A1KMT2A | |
| SCHEMBL13749068 | 0.84 | CYP2C9 (0.38) | HRH3SMN1; SMN2ACVR1KDM4EALDH1A1 | |
| SCHEMBL13749350 | 0.84 | SLC6A9 (0.39) | HRH3ENPP2 | |
| SCHEMBL13748862 | 0.84 | HTT (0.35) | HRH3SMN1; SMN2KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL13748292 | 0.84 | HRH3 (0.43) | HRH3SMN1; SMN2KDM4EALDH1A1MEN1 | |
| SCHEMBL13748931 | 0.83 | PDK2 (0.36) | HRH3SMN1; SMN2KDM4EALDH1A1KMT2A | |
| SCHEMBL13748663 | 0.83 | KDM4E (0.44) | SMOSMN1; SMN2KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009100120-A2 | PYRIDINYL-SUBSTITUTED PIPERAZINYL OXOETHYL TETRAHYDROPYRAZOLOPYRIDINES | NEUROGEN CORPORATION (US) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100120-A2 | PYRIDINYL-SUBSTITUTED PIPERAZINYL OXOETHYL TETRAHYDROPYRAZOLOPYRIDINES | NEUROGEN CORPORATION (US) | 2009-08-13 | — | — | WO | disclosed |