Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MLNR | O43193 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | OXTR | P30559 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 3/20 | 0.34 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL12978169 | 0.89 | HTT (0.52) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL15093128 | 0.88 | HTT (0.53) | HTTMLNRCYP3A4CYP2C9CYP2B6 | |
| SCHEMBL12978162 | 0.82 | HTT (0.52) | HTTMLNRCYP3A4CYP2C9CYP2B6 | |
| SCHEMBL12978149 | 0.81 | HTT (0.49) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL791893 | 0.81 | HTT (0.51) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL12978205 | 0.80 | HTT (0.52) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL791845 | 0.80 | HTT (0.54) | HTTMLNRCYP3A4CYP2C9CYP2B6 | |
| SCHEMBL791734 | 0.79 | HTT (0.51) | HTTCYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL790599 | 0.79 | HTT (0.53) | HTTMLNRCYP3A4CYP2C9CYP2B6 | |
| SCHEMBL12978226 | 0.79 | GAA (0.55) | HTTTSHRLMNARAB9AKDM4E |
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-2615917-A2 | PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III | BASF SE (DE) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012034959-A2 | PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III | BASF SE (DE) | 2012-03-22 | — | — | WO | disclosed |