Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13748854 | 0.89 | SLC6A9 (0.43) | ALDH1A1KMT2ASLC6A9HRH3CHRM4 | |
| SCHEMBL4069491 | 0.88 | HTT (0.39) | ALDH1A1TSHRKMT2ASLC6A9HRH3 | |
| SCHEMBL4061339 | 0.87 | HRH3 (0.37) | ALDH1A1SLC6A9HRH3NPSR1HTT | |
| SCHEMBL4067642 | 0.87 | SLC6A9 (0.43) | ALDH1A1KMT2ASLC6A9HRH3NPSR1 | |
| SCHEMBL13748862 | 0.87 | HTT (0.35) | ALDH1A1SLC6A9HRH3NPSR1HTT | |
| SCHEMBL13748931 | 0.86 | PDK2 (0.36) | ALDH1A1KMT2ASLC6A9HRH3NPSR1 | |
| SCHEMBL1016129 | 0.85 | ALDH1A1 (0.47) | ALDH1A1TSHRKMT2AHRH3KDM4E | |
| SCHEMBL13749350 | 0.85 | SLC6A9 (0.39) | SLC6A9HRH3CHRM1CHRM4NPSR1 | |
| SCHEMBL13748292 | 0.85 | HRH3 (0.43) | ALDH1A1KMT2AHRH3NPSR1HTT | |
| SCHEMBL1071102 | 0.85 | HRH3 (0.37) | ALDH1A1TSHRKMT2AHRH3NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009100120-A2 | PYRIDINYL-SUBSTITUTED PIPERAZINYL OXOETHYL TETRAHYDROPYRAZOLOPYRIDINES | NEUROGEN CORPORATION (US) | 2009-08-13 | — | — | WO | disclosed |