Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.61 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.60 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.57 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8504712 | 0.91 | RXFP1 (0.57) | HTTPIK3CDPIK3R1CYP1A2CYP2D6 | |
| SCHEMBL9921350 | 0.87 | HTT (0.58) | HTTPIK3CDPIK3R1CYP1A2CYP2D6 | |
| SCHEMBL8498818 | 0.86 | HTT (0.61) | HTTPIK3CDPIK3R1CYP1A2CYP2D6 | |
| SCHEMBL8495218 | 0.86 | LMNA (0.60) | HTTCYP1A2CYP2D6NR2F2CYP3A4 | |
| SCHEMBL9608175 | 0.80 | CYP1A2 (0.52) | HTTPIK3CDPIK3R1CYP1A2CYP2D6 | |
| SCHEMBL8483606 | 0.80 | HTT (0.61) | HTTPIK3CDPIK3R1CYP1A2CYP2D6 | |
| SCHEMBL9921509 | 0.79 | PIK3CD (0.85) | HTTPIK3CDPIK3R1CYP1A2CYP2D6 | |
| SCHEMBL9609200 | 0.78 | RPS6KB1 (0.53) | HTTCYP1A2CYP2D6CYP3A4TSHR | |
| SCHEMBL9609195 | 0.78 | EGFR (0.43) | HTTCYP1A2CYP2D6CYP3A4TSHR | |
| SCHEMBL8544986 | 0.78 | PIK3CD (0.67) | HTTPIK3CDPIK3R1CYP1A2CYP2D6 |
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-2455371-A1 | 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE | SDS Biotech K. K. (JP) | 2012-05-23 | — | — | EP | disclosed |