Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | STAT3 | P40763 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18067902 | 1.00 | HRH3 (0.53) | HRH3CYP1A2CYP2D6KCNH2MAPT | |
| SCHEMBL4070681 | 0.98 | HRH3 (0.54) | HRH3CYP1A2CYP2D6KCNH2MAPT | |
| SCHEMBL2619348 | 0.92 | HRH3 (0.56) | HRH3CYP1A2CYP2D6KCNH2MAPT | |
| SCHEMBL29058183 | 0.91 | RAB9A (0.55) | CYP1A2KCNH2MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL30542615 | 0.91 | RAB9A (0.55) | CYP1A2KCNH2MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL22368184 | 0.91 | RAB9A (0.55) | CYP1A2KCNH2MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL28879024 | 0.91 | RAB9A (0.55) | CYP1A2KCNH2MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL23531409 | 0.89 | RAB9A (0.54) | CYP1A2KCNH2MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL5712637 | 0.89 | RAB9A (0.53) | HRH3CYP1A2KCNH2MAPTRAB9A | |
| SCHEMBL20411973 | 0.87 | NFKB1 (0.53) | CYP1A2KCNH2MAPTRAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3828178-A1 | PYRIDINE SALTS AND PROCESS | Daiichi Sankyo Company, Limited (JP) | 2021-06-02 | — | — | EP | disclosed |