Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | FABP3 | P05413 | 2/20 | 0.36 |
| ▸ | FABP4 | P15090 | 2/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9733841 | 0.93 | MAPT (0.52) | MAPK1CYP1A2CYP2D6GABRA1GABRB2 | |
| SCHEMBL9736352 | 0.90 | MAPK1 (0.44) | MAPK1CYP1A2CYP2D6GABRA1GABRB2 | |
| SCHEMBL9734778 | 0.85 | MAPK1 (0.49) | MAPK1CYP1A2CYP2D6KDM4EMPO | |
| SCHEMBL9733983 | 0.78 | MAPT (0.65) | MAPK1CYP1A2CYP2D6GABRA1GABRB2 | |
| SCHEMBL8897499 | 0.77 | GABRA1 (0.61) | CYP1A2CYP2D6GABRA1GABRB2TSHR | |
| SCHEMBL9734442 | 0.73 | MAPT (0.55) | MAPK1CYP1A2CYP2D6GABRA1GABRB2 | |
| SCHEMBL14682849 | 0.72 | GABRA1 (0.59) | CYP1A2CYP2D6GABRA1GABRB2TSHR | |
| SCHEMBL11803468 | 0.72 | GABRA1 (0.59) | CYP1A2CYP2D6GABRA1GABRB2FABP3 | |
| SCHEMBL14705354 | 0.71 | GABRA1 (0.57) | CYP1A2CYP2D6GABRA1GABRB2TSHR | |
| SCHEMBL14703867 | 0.71 | GABRA1 (0.57) | CYP1A2CYP2D6GABRA1GABRB2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5106975-A | Hexahydropyrimidine derivatives | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0434185-A2 | Hexahydropyrimidine derivatives | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1991-06-26 | — | — | EP | disclosed |